{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,10]],"date-time":"2026-02-10T17:48:29Z","timestamp":1770745709158,"version":"3.49.0"},"reference-count":99,"publisher":"MDPI AG","issue":"5","license":[{"start":{"date-parts":[[2024,3,1]],"date-time":"2024-03-01T00:00:00Z","timestamp":1709251200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"Czech Science Foundation","award":["22-07164S"],"award-info":[{"award-number":["22-07164S"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>An extensive thermodynamic study of N-methylformamide (CAS RN: 123-39-7) and N,N-dimethylformamide (CAS RN: 68-12-2), is presented in this work. The liquid heat capacities of N-methylformamide were measured by Tian\u2013Calvet calorimetry in the temperature interval (250\u2013300) K. The vapor pressures for N-methylformamide and N,N-dimethylformamide were measured using static method in the temperature range 238 K to 308 K. The ideal-gas thermodynamic properties were calculated using a combination of the density functional theory (DFT) and statistical thermodynamics. A consistent thermodynamic description was developed using the method of simultaneous correlation, where the experimental and selected literature data for vapor pressures, vaporization enthalpies, and liquid phase heat capacities and the calculated ideal-gas heat capacities were treated together to ensure overall thermodynamic consistency of the results. The resulting vapor pressure equation is valid from the triple point to the normal boiling point temperature.<\/jats:p>","DOI":"10.3390\/molecules29051110","type":"journal-article","created":{"date-parts":[[2024,3,1]],"date-time":"2024-03-01T06:07:53Z","timestamp":1709273273000},"page":"1110","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":5,"title":["Thermodynamic Study of N-Methylformamide and N,N-Dimethyl-Formamide"],"prefix":"10.3390","volume":"29","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-9048-1036","authenticated-orcid":false,"given":"Kv\u011btoslav","family":"R\u016f\u017ei\u010dka","sequence":"first","affiliation":[{"name":"Department of Physical Chemistry, University of Chemistry and Technology, Prague, Technick\u00e1 5, CZ-166 28 Prague, Czech Republic"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2839-8546","authenticated-orcid":false,"given":"Vojt\u011bch","family":"\u0160tejfa","sequence":"additional","affiliation":[{"name":"Department of Physical Chemistry, University of Chemistry and Technology, Prague, Technick\u00e1 5, CZ-166 28 Prague, Czech Republic"}]},{"given":"Ctirad","family":"\u010cervinka","sequence":"additional","affiliation":[{"name":"Department of Physical Chemistry, University of Chemistry and Technology, Prague, Technick\u00e1 5, CZ-166 28 Prague, Czech Republic"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5707-0670","authenticated-orcid":false,"given":"Michal","family":"Fulem","sequence":"additional","affiliation":[{"name":"Department of Physical Chemistry, University of Chemistry and Technology, Prague, Technick\u00e1 5, CZ-166 28 Prague, Czech Republic"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8113-0709","authenticated-orcid":false,"given":"Ji\u0159\u00ed","family":"\u0160turala","sequence":"additional","affiliation":[{"name":"Department of Inorganic Chemistry, University of Chemistry and Technology, Prague, Technick\u00e1 5, CZ-166 28 Prague, Czech Republic"}]}],"member":"1968","published-online":{"date-parts":[[2024,3,1]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"93","DOI":"10.1016\/j.fluid.2014.03.013","article-title":"Thermodynamic study of alkane-\u03b1,\u03c9-diamines \u2013 Evidence of odd\u2013even pattern of sublimation properties","volume":"371","author":"Fulem","year":"2014","journal-title":"Fluid Phase Equilibria"},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"114019","DOI":"10.1016\/j.molliq.2020.114019","article-title":"Thermodynamic study of acetamides","volume":"319","author":"Chun","year":"2020","journal-title":"J. Mol. Liq."},{"key":"ref_3","doi-asserted-by":"crossref","first-page":"1833","DOI":"10.1021\/acs.jced.9b01086","article-title":"Heat Capacities of l-Alanine, l-Valine, l-Isoleucine, and l-Leucine: Experimental and Computational Study","volume":"65","author":"Fulem","year":"2020","journal-title":"J. Chem. Eng. Data"},{"key":"ref_4","doi-asserted-by":"crossref","unstructured":"Pokorn\u00fd, V., \u0160tejfa, V., Havl\u00edn, J., Fulem, M., and R\u016f\u017ei\u010dka, K. (2023). Heat Capacities of L-Cysteine, L-Serine, L-Threonine, L-Lysine, and L-Methionine. Molecules, 28.","DOI":"10.3390\/molecules28010451"},{"key":"ref_5","doi-asserted-by":"crossref","unstructured":"\u0160tejfa, V., Pokorn\u00fd, V., Lieberzeitov\u00e1, E., Havl\u00edn, J., Fulem, M., and R\u016f\u017ei\u010dka, K. (2023). Heat Capacities of N-Acetyl Amides of Glycine, L-Alanine, L-Valine, L-Isoleucine, and L-Leucine. Molecules, 28.","DOI":"10.3390\/molecules28145440"},{"key":"ref_6","doi-asserted-by":"crossref","first-page":"3353","DOI":"10.1080\/00268976.2019.1649494","article-title":"The liquid structure of the solvents dimethylformamide (DMF) and dimethylacetamide (DMA)","volume":"117","author":"Basma","year":"2019","journal-title":"Mol. Phys."},{"key":"ref_7","doi-asserted-by":"crossref","first-page":"727","DOI":"10.1021\/je9802975","article-title":"Binary Solid\u2013Liquid Equilibria of Organic Systems Containing Different Amides and Sulfolane","volume":"44","author":"Ahlers","year":"1999","journal-title":"J. Chem. Eng. Data"},{"key":"ref_8","doi-asserted-by":"crossref","first-page":"1508","DOI":"10.1016\/j.jct.2007.02.009","article-title":"Thermodynamic properties of N,N-dimethylformamide and N,N-dimethylacetamide","volume":"39","author":"Smirnova","year":"2007","journal-title":"J. Chem. Thermodyn."},{"key":"ref_9","doi-asserted-by":"crossref","first-page":"159","DOI":"10.1080\/0031910031001331819","article-title":"Thermodynamics of mixtures containing a very strongly polar compound: V \u2013 application of the extended real associated solution model to 1-Alkanol + Secondary Amide Mixtures","volume":"42","year":"2004","journal-title":"Phys. Chem. Liq."},{"key":"ref_10","unstructured":"Mitzel, T.M. (2009). Encyclopedia of Reagents for Organic Synthesis (EROS), Wiley."},{"key":"ref_11","unstructured":"Comins, D.L., and Joseph, S.P. (2001). Encyclopedia of Reagents for Organic Synthesis (EROS), Wiley."},{"key":"ref_12","unstructured":"Bipp, H., and Kieczka, H. (2012). Ullmann\u2019s Encyclopedia of Industrial Chemistry, Wiley-VCH."},{"key":"ref_13","first-page":"414","article-title":"Temperature Dependence of N-Methylformamide Vapour Pressure, Liquid-Vapour Equilibrium of the N-Methylformamide-Water System (in Slovak)","volume":"15","author":"Heinrich","year":"1961","journal-title":"Chemick\u00e9 zvesti"},{"key":"ref_14","doi-asserted-by":"crossref","first-page":"1075","DOI":"10.1016\/0021-9614(76)90138-5","article-title":"Thermochemistry of solutions of biochemical model compounds 7. Aqueous solutions of some amides, t-butanol and pentanol","volume":"8","author":"Suurkuusk","year":"1976","journal-title":"J. Chem. Thermodyn."},{"key":"ref_15","first-page":"3397","article-title":"Solvation and hydrophobic hydration of alkyl-substituted ureas and amides in NN-dimethylformamide + water mixtures","volume":"78","author":"Rouw","year":"1982","journal-title":"J. Chem. Soc. Faraday Trans. 1 Phys. Chem. Cond. Phases"},{"key":"ref_16","doi-asserted-by":"crossref","first-page":"157","DOI":"10.1016\/0378-3812(85)90066-4","article-title":"Enthalpies of vaporization of seven alkylamides","volume":"21","author":"Barone","year":"1985","journal-title":"Fluid Phase Equilibria"},{"key":"ref_17","doi-asserted-by":"crossref","first-page":"228","DOI":"10.1016\/j.fluid.2019.04.036","article-title":"Vapour pressures and enthalpies of vaporisation of alkyl formamides","volume":"494","author":"Zaitseva","year":"2019","journal-title":"Fluid Phase Equilibria"},{"key":"ref_18","doi-asserted-by":"crossref","first-page":"9975","DOI":"10.1021\/jp072859+","article-title":"Model of Peptide Bond\u2013Aromatic Ring Interaction:\u2009 Correlated Ab Initio Quantum Chemical Study","volume":"111","author":"Hobza","year":"2007","journal-title":"J. Phys. Chem. B"},{"key":"ref_19","doi-asserted-by":"crossref","first-page":"113001","DOI":"10.1016\/j.comptc.2020.113001","article-title":"Probing the vibrational dynamics of amide bands of N-methylformamide, N, N-dimethylacetamide, and N-methylacetamide in water","volume":"1190","author":"Biswas","year":"2020","journal-title":"Comput. Theor. Chem."},{"key":"ref_20","doi-asserted-by":"crossref","first-page":"9727","DOI":"10.1021\/jp9045512","article-title":"Solvent Dependence of the N-Methylacetamide Structure and Force Field","volume":"113","author":"Andrushchenko","year":"2009","journal-title":"J. Phys. Chem. A"},{"key":"ref_21","doi-asserted-by":"crossref","first-page":"7439","DOI":"10.1021\/acs.jpca.0c06322","article-title":"Evaluation of an Efficient 3D-RISM-SCF Implementation as a Tool for Computational Spectroscopy in Solution","volume":"124","author":"Reimann","year":"2020","journal-title":"J. Phys. Chem. A"},{"key":"ref_22","doi-asserted-by":"crossref","first-page":"1541","DOI":"10.3891\/acta.chem.scand.25-1541","article-title":"Thermochemical Properties of Some Carboxylic Acids, Amines, and N-Substituted Amides in Aqueous Solution","volume":"25","author":"Konicek","year":"1971","journal-title":"Acta Chem. Scand."},{"key":"ref_23","doi-asserted-by":"crossref","first-page":"552","DOI":"10.1002\/cite.330420810","article-title":"Dampf\/Fl\u00fcssigkeit-Gleichgewichte (Siedediagramme) bin\u00e4rer Systeme hoher relativer Fl\u00fcchtigkeit. Wasser\/N-Methylacetamid, Wasser\/N-Methylformamid und N-Methylformamid\/N-Methylacetamid","volume":"42","author":"Biedersee","year":"1970","journal-title":"Chemie-Ing.-Techn."},{"key":"ref_24","unstructured":"Stein, S.E. (2024, January 22). NIST Standard Reference Database 1A, NIST Mass Spectral Libraries [Database on the Internet]. NIST, Available online: https:\/\/www.nist.gov\/srd\/nist-standard-reference-database-1a."},{"key":"ref_25","doi-asserted-by":"crossref","first-page":"947","DOI":"10.1515\/zpch-1974-255111","article-title":"Studies on Thermodynamics of Binary-Liquid Mixtures with Homolog Formamides.10. Binary-Systems Benzene(1) and N-Methylformamide(2), Tetrachloromethane(1) and N-Methylformamide(2), Cyclohexane(1) and N-Methylformamide(2), and Heptane(1) and N-Methylformamide(2)","volume":"255","author":"Messow","year":"1974","journal-title":"Z. Phys. Chem.-Leipzig"},{"key":"ref_26","first-page":"1573","article-title":"The thermodynamic properties of N-methylformamide","volume":"70","author":"Ushakov","year":"1996","journal-title":"Zh. Fiz. Khim."},{"key":"ref_27","doi-asserted-by":"crossref","first-page":"887","DOI":"10.1006\/jcht.1996.0078","article-title":"(Vapour+liquid) equilibria in (N-methylformamide+methanol+water) at the temperature 313.15 K","volume":"28","author":"Zielkiewicz","year":"1996","journal-title":"J. Chem. Thermodyn."},{"key":"ref_28","first-page":"229","article-title":"(Vapour + liquid) equilibria in (N-methylformamide + ethanol + water) at the temperature 313.15 K","volume":"29","author":"Zielkiewicz","year":"1997","journal-title":"J. Chem. Eng. Data"},{"key":"ref_29","doi-asserted-by":"crossref","first-page":"650","DOI":"10.1021\/je980001v","article-title":"Excess Molar Volumes and Excess Gibbs Energies in N-Methylformamide + Water, or + Methanol, or + Ethanol at the Temperature 303.15 K","volume":"43","author":"Zielkiewicz","year":"1998","journal-title":"J. Chem. Eng. Data"},{"key":"ref_30","doi-asserted-by":"crossref","first-page":"341","DOI":"10.1021\/je020130i","article-title":"Vapor\u2013Liquid Equilibria for Four Binary Systems at 363.15 K:\u2009 N-Methylformamide + Hexane, + Benzene, + Chlorobenzene, and + Acetonitrile","volume":"48","author":"Harris","year":"2003","journal-title":"J. Chem. Eng. Data"},{"key":"ref_31","doi-asserted-by":"crossref","first-page":"40","DOI":"10.1016\/j.fluid.2009.12.002","article-title":"Vapor-liquid equilibria and density measurement for binary mixtures of o-xylene+NMF, m-xylene+NMF and p-xylene+NMF at 333.15 K, 343.15 K and 353.15 K from 0 kPa to 101.3 kPa","volume":"291","author":"Chen","year":"2010","journal-title":"Fluid Phase Equilib."},{"key":"ref_32","doi-asserted-by":"crossref","first-page":"205","DOI":"10.1016\/j.jct.2019.06.026","article-title":"Separation of azeotropic mixture (2, 2, 3, 3-Tetrafluoro-1-propanol + water) by extractive distillation: Entrainers selection and vapour-liquid equilibrium measurements","volume":"138","author":"Li","year":"2019","journal-title":"J. Chem. Thermodyn."},{"key":"ref_33","first-page":"1221","article-title":"Properties of the Dimethylformamide-Water System. 2. Vapor Density and Osmotic Pressure of the Aqueous Solutions","volume":"35","author":"Ivanova","year":"1961","journal-title":"Zh. Fiz. Khim."},{"key":"ref_34","first-page":"13","article-title":"Vapour Pressures of some Mono- and Di-Alkyl Substituted Aliphatic Amides at Different Temperatures","volume":"45","author":"Gopal","year":"1968","journal-title":"J. Ind. Chem. Soc."},{"key":"ref_35","doi-asserted-by":"crossref","first-page":"107","DOI":"10.1515\/zpch-1969-24011","article-title":"Studien zur Thermodynamik bin\u00e4rer Fl\u00fcssigkeitsgemische mit homologen Formamiden VIII. Die bin\u00e4ren Systeme R-Heptan(l)\/Dimethylformamid(2) und n-Heptan(l)\/Di\u00e4thylformamid(2)","volume":"240","author":"Quitzsch","year":"1969","journal-title":"Z. Phys. Chem."},{"key":"ref_36","first-page":"2604","article-title":"Temperature dependence of the vapor-pressure of dimethylformamide and its aqueous solutions","volume":"47","author":"Myasnikova","year":"1974","journal-title":"Zh. Prikl. Khim."},{"key":"ref_37","first-page":"1052","article-title":"Thermodynamic study of the evaporation of dimethylformamide, N-methylpyrrolidone and tetrahydrofurfuryl alcohol","volume":"53","author":"Bludilina","year":"1979","journal-title":"Zh. Fiz. Khim."},{"key":"ref_38","doi-asserted-by":"crossref","first-page":"70","DOI":"10.1016\/0140-7007(85)90076-3","article-title":"Solubility characteristics of R22-DMF refrigerant-absorbent combination","volume":"8","author":"Agarwal","year":"1985","journal-title":"Int. J. Refrig."},{"key":"ref_39","doi-asserted-by":"crossref","first-page":"455","DOI":"10.1021\/je00042a026","article-title":"Vapor-liquid equilibrium for four mixtures containing N,N-dimethylformamide","volume":"30","author":"Shealy","year":"1985","journal-title":"J. Chem. Eng. Data"},{"key":"ref_40","doi-asserted-by":"crossref","first-page":"67","DOI":"10.1016\/0378-3812(87)85014-8","article-title":"Vapor liquid equilibrium measurements on five binary mixtures","volume":"36","author":"Wilding","year":"1987","journal-title":"Fluid Phase Equilibria"},{"key":"ref_41","first-page":"48","article-title":"Thermodynamic study of the dimethylformamide-ethylene glycol monobutyl ether-ammonium nitrate system","volume":"31","author":"Polishchuk","year":"1988","journal-title":"Izv. Vyssh. Uchebn. Zaved., Khim. Khim. Tekhnol."},{"key":"ref_42","doi-asserted-by":"crossref","first-page":"589","DOI":"10.1021\/je00019a010","article-title":"Isobaric Vapor-Liquid Equilibria of 1-Butanol + N,N-Dimethylformamide and 1-Pentanol + N,N-Dimethylformamide Systems at 50.00 and 100.00 kPa","volume":"40","author":"Marzal","year":"1995","journal-title":"J. Chem. Eng. Data"},{"key":"ref_43","doi-asserted-by":"crossref","first-page":"938","DOI":"10.1021\/je970059u","article-title":"Phase Equilibria of Binary Systems Formed by Hydrocarbons from Petroleum Fractions and the Solvents N-Methylpyrrolidone and N,N-Dimethylformamide. 1. Isobaric Vapor\u2013Liquid Equilibria","volume":"42","author":"Blanco","year":"1997","journal-title":"J. Chem. Eng. Data"},{"key":"ref_44","doi-asserted-by":"crossref","first-page":"119","DOI":"10.1016\/S0378-3812(01)00575-1","article-title":"Isothermal and isobaric vapor + liquid equilibria of N,N-dimethylformamide + n-propanol + n-butanol","volume":"189","author":"Wang","year":"2001","journal-title":"Fluid Phase Equilibria"},{"key":"ref_45","doi-asserted-by":"crossref","first-page":"62","DOI":"10.1016\/j.fluid.2005.03.014","article-title":"Phase equilibria in the systems isobutyl alcohol+N,N-dimethylformamide, isobutyl acetate+N,N-dimethylformamide and isobutyl alcohol+isobutyl acetate+N,N-dimethylformamide at 101.3;kPa","volume":"232","author":"Burguet","year":"2005","journal-title":"Fluid Phase Equilibria"},{"key":"ref_46","doi-asserted-by":"crossref","first-page":"1860","DOI":"10.1021\/je060224i","article-title":"Experimental Vapor Pressure Data and a Vapor Pressure Equation for N,N-Dimethylformamide","volume":"51","author":"Cui","year":"2006","journal-title":"J. Chem. Eng. Data"},{"key":"ref_47","doi-asserted-by":"crossref","first-page":"4780","DOI":"10.1021\/je100398m","article-title":"Vapor Pressure of Selected Organic Iodides","volume":"55","author":"Fulem","year":"2010","journal-title":"J. Chem. Eng. Data"},{"key":"ref_48","doi-asserted-by":"crossref","first-page":"192","DOI":"10.1016\/j.fluid.2010.06.019","article-title":"Vapor pressure of selected aliphatic alcohols by ebulliometry. Part 1","volume":"298","author":"Fulem","year":"2010","journal-title":"Fluid Phase Equilibria"},{"key":"ref_49","doi-asserted-by":"crossref","first-page":"763","DOI":"10.1007\/BF01913535","article-title":"Direct Determination of Enthalpies of Vaporization of Liquid Compounds by a Miniaturized Effusion Cell Adapted to a Commercial Microcalorimeter","volume":"29","author":"Barone","year":"1984","journal-title":"J. Therm. Anal."},{"key":"ref_50","unstructured":"Majer, V., and Svoboda, V. (1985). IUPAC Chemical Data Series No. 32: Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific."},{"key":"ref_51","doi-asserted-by":"crossref","first-page":"043102","DOI":"10.1063\/1.5053993","article-title":"A Reference Equation of State for Heavy Water","volume":"47","author":"Herrig","year":"2018","journal-title":"J. Phys. Chem. Ref. Data"},{"key":"ref_52","doi-asserted-by":"crossref","first-page":"387","DOI":"10.1063\/1.1461829","article-title":"The IAPWS Formulation 1995 for the Thermodynamic Properties of Ordinary Water Substance for General and Scientific Use","volume":"31","author":"Wagner","year":"2002","journal-title":"J. Phys. Chem. Ref. Data"},{"key":"ref_53","doi-asserted-by":"crossref","unstructured":"Acree, W., and Chickos, J.S. (2016). Phase Transition Enthalpy Measurements of Organic and Organometallic Compounds. Sublimation, Vaporization and Fusion Enthalpies From 1880 to 2015. Part 1. C1 \u2212 C10. J. Phys. Chem. Ref. Data, 45.","DOI":"10.1063\/1.4948363"},{"key":"ref_54","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/j.tca.2009.05.007","article-title":"Enthalpies of vaporization of N,N-dialkyl monamides at 298.15 K","volume":"495","author":"Panneerselvam","year":"2009","journal-title":"Thermochim. Acta"},{"key":"ref_55","doi-asserted-by":"crossref","first-page":"2017","DOI":"10.1021\/acs.jced.2c00236","article-title":"Estimating Vapor Pressure Data from Gas\u2013Liquid Chromatography Retention Times: Analysis of Multiple Reference Approaches, Review of Prior Applications, and Outlook","volume":"67","author":"Koutek","year":"2022","journal-title":"J. Chem. Eng. Data"},{"key":"ref_56","doi-asserted-by":"crossref","first-page":"159","DOI":"10.1524\/zpch.1974.92.1-3.159","article-title":"Molar Heat Capacities of Binary Mixtures of Water and Some Amides at 298.15 K","volume":"92","author":"Somsen","year":"1974","journal-title":"Z. Phys. Chem. Neue Folge"},{"key":"ref_57","doi-asserted-by":"crossref","first-page":"105","DOI":"10.1016\/0021-9614(76)90082-3","article-title":"The partial molar heat capacities of some solutes in water and deuterium oxide","volume":"8","author":"Bonner","year":"1976","journal-title":"J. Chem. Thermodyn."},{"key":"ref_58","doi-asserted-by":"crossref","first-page":"571","DOI":"10.1007\/BF00655371","article-title":"Volumes and heat capacities of water andN-methylformamide in mixtures of these solvents","volume":"6","author":"Pel","year":"1977","journal-title":"J. Sol. Chem."},{"key":"ref_59","doi-asserted-by":"crossref","first-page":"61","DOI":"10.1016\/0040-6031(92)87007-W","article-title":"Volumes and heat capacities of binary non-aqueous mixtures. Part 1. The systems acetonitrile\u2014formamide and acetonitrile\u2014N-methylformamide","volume":"211","author":"Kolker","year":"1992","journal-title":"Thermochimica Acta"},{"key":"ref_60","doi-asserted-by":"crossref","first-page":"182","DOI":"10.1016\/j.jct.2013.12.006","article-title":"Topological and thermodynamic investigations of mixtures containing o-chlorotoluene and lower amides","volume":"71","author":"Sharma","year":"2014","journal-title":"J. Chem. Thermodyn."},{"key":"ref_61","doi-asserted-by":"crossref","first-page":"1452","DOI":"10.1007\/s10953-015-0358-5","article-title":"Topological Investigations of Excess Heat Capacities of Binary and Ternary Liquid Mixtures Containing o-Chlorotoluene, Amides and Cyclohexane at 298.15, 303.15 and 308.15 K","volume":"44","author":"Sharma","year":"2015","journal-title":"J. Sol. Chem."},{"key":"ref_62","doi-asserted-by":"crossref","first-page":"73","DOI":"10.1016\/0040-6031(92)87008-X","article-title":"Volumes and heat capacities of binary non-aqueous mixtures. Part 2. The systems acetonitrile-N,N-dimethylformamide and acetonitrile-hexamethylphosphoric triamide","volume":"211","author":"Kolker","year":"1992","journal-title":"Thermochimica Acta"},{"key":"ref_63","doi-asserted-by":"crossref","first-page":"215","DOI":"10.1080\/00319109408029529","article-title":"Heat Capacity of Toluene + Dimethyl Formamide Mixtures","volume":"27","author":"Rajiah","year":"1994","journal-title":"Phys. Chem. Liq."},{"key":"ref_64","doi-asserted-by":"crossref","first-page":"259","DOI":"10.1007\/s10953-010-9500-6","article-title":"Measurements of the Molar Heat Capacities and Excess Molar Heat Capacities for Water + Organic Solvents Mixtures at 288.15 K to 303.15 K and Atmospheric Pressure","volume":"39","author":"Checoni","year":"2010","journal-title":"J. Sol. Chem."},{"key":"ref_65","doi-asserted-by":"crossref","first-page":"142","DOI":"10.1016\/j.molliq.2013.07.005","article-title":"Thermo-physical properties of aqueous solutions of N,N-dimethylformamide","volume":"186","author":"Shokouhi","year":"2013","journal-title":"J. Mol. Liq."},{"key":"ref_66","doi-asserted-by":"crossref","first-page":"111124","DOI":"10.1016\/j.molliq.2019.111124","article-title":"Effect of temperature and composition on the volumetric, acoustic and thermal properties of N,N-dimethylformamide + propan-1-ol mixture","volume":"290","author":"Majak","year":"2019","journal-title":"J. Mol. Liq."},{"key":"ref_67","doi-asserted-by":"crossref","first-page":"112321","DOI":"10.1016\/j.molliq.2019.112321","article-title":"Volumetric, acoustic and thermal properties of aqueous N,N-dimethylformamide system. Effect of temperature and composition","volume":"300","author":"Burakowski","year":"2020","journal-title":"J. Mol. Liq."},{"key":"ref_68","doi-asserted-by":"crossref","unstructured":"Tyczynska, M., Dentkiewicz, A., and Jozwiak, M. (2023). Thermodynamic and Thermal Analyze of N,N-Dimethylformamide + 1-Butanol Mixture Properties Based on Density, Sound Velocity and Heat Capacity Data. Molecules, 28.","DOI":"10.20944\/preprints202305.1850.v1"},{"key":"ref_69","doi-asserted-by":"crossref","unstructured":"Sarge, S.M., H\u00f6hne, G., and Hemminger, W. (2014). Calorimetry: Fundamentals, Instrumentation and Applications, Wiley.","DOI":"10.1002\/9783527649365"},{"key":"ref_70","first-page":"1053","article-title":"Vibrational spectra and force fields of the simplest amides","volume":"11","author":"Popov","year":"1970","journal-title":"Zh. Strukt. Khim."},{"key":"ref_71","doi-asserted-by":"crossref","first-page":"30","DOI":"10.1016\/j.molstruc.2006.01.005","article-title":"Conformational behavior of N-methylformamide in the gas, matrix, and solution states as revealed by IR and NMR spectroscopic measurements and by theoretical calculations","volume":"791","author":"Shin","year":"2006","journal-title":"J. Mol. Struct."},{"key":"ref_72","unstructured":"Frenkel, M., Kabo, G.J., Marsh, K.N., Roganov, G.N., and Wilhoit, R.C. (1994). Thermodynamics of Organic Compounds in the Gas State."},{"key":"ref_73","doi-asserted-by":"crossref","first-page":"540","DOI":"10.1246\/bcsj.35.540","article-title":"Infrared Spectra and Normal Vibrations of N-Methylformamides HCONHCH-3, HCONDCH-3, DCONDCH-3, AND DCONDCH-3","volume":"35","author":"Suzuki","year":"1962","journal-title":"Bull. Chem. Soc. Jpn."},{"key":"ref_74","first-page":"447","article-title":"Thermodynamic properties of amides","volume":"58","author":"Glushko","year":"1985","journal-title":"Zh. Prikl. Khim."},{"key":"ref_75","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/0022-2852(82)90077-7","article-title":"The Vibrational-Spectra of Amides - Dimethyl Formamide","volume":"92","author":"Jao","year":"1982","journal-title":"J. Mol. Spectrosc."},{"key":"ref_76","doi-asserted-by":"crossref","first-page":"1723","DOI":"10.1002\/aic.690420624","article-title":"Simple and controlled extrapolation of vapor pressures toward the triple point","volume":"42","author":"Majer","year":"1996","journal-title":"AIChE J."},{"key":"ref_77","doi-asserted-by":"crossref","first-page":"263","DOI":"10.1002\/aic.690200209","article-title":"Empirical correlation of second virial coefficients","volume":"20","author":"Tsonopoulos","year":"1974","journal-title":"AIChE J."},{"key":"ref_78","doi-asserted-by":"crossref","first-page":"3408","DOI":"10.1021\/acs.jced.8b00298","article-title":"DIPPR Project 851\u2014Thirty Years of Vapor\u2013Liquid Critical Point Measurements and Experimental Technique Development","volume":"63","author":"Wilson","year":"2018","journal-title":"J. Chem. Eng. Data"},{"key":"ref_79","first-page":"445","article-title":"Dipole moment of N-Methylformamid","volume":"138","author":"Kessler","year":"1967","journal-title":"Chem. Zentralblatt"},{"key":"ref_80","unstructured":"McClellan, A.L. (1974). Tables of Experimental Dipole Moments, Rahara Enterprises."},{"key":"ref_81","doi-asserted-by":"crossref","first-page":"265","DOI":"10.1515\/pac-2015-0305","article-title":"Atomic weights of the elements 2013 (IUPAC Technical Report)","volume":"88","author":"Meija","year":"2016","journal-title":"Pur. Appl. Chem."},{"key":"ref_82","doi-asserted-by":"crossref","first-page":"L13","DOI":"10.1088\/1681-7575\/aa950a","article-title":"The CODATA 2017 values of h, e, k, and NA for the revision of the SI","volume":"55","author":"Newell","year":"2018","journal-title":"Metrologia"},{"key":"ref_83","doi-asserted-by":"crossref","unstructured":"H\u00f6hne, G.W.H., Flammersheim, H.-J., and Hemminger, W. (2003). Differential Scanning Calorimetry, Springer.","DOI":"10.1007\/978-3-662-06710-9"},{"key":"ref_84","doi-asserted-by":"crossref","unstructured":"Irikura, K.K., and Frurip, D.J. (1998). Computational Thermochemistry: Prediction and Estimation of Molecular Thermodynamics, American Chemical Society.","DOI":"10.1021\/bk-1998-0677"},{"key":"ref_85","doi-asserted-by":"crossref","first-page":"6655","DOI":"10.1063\/1.473958","article-title":"Ab initio statistical thermodynamical models for the computation of third-law entropies","volume":"106","author":"East","year":"1997","journal-title":"J. Chem. Phys."},{"key":"ref_86","doi-asserted-by":"crossref","first-page":"881","DOI":"10.1007\/s00214-007-0376-5","article-title":"The 1-D hindered rotor approximation","volume":"118","author":"Pfaendtner","year":"2007","journal-title":"Theor. Chem. Acc."},{"key":"ref_87","unstructured":"Frisch, M.J., Trucks, G.W., Schlegel, H.B., Scuseria, G.E., Robb, M.A., Cheeseman, J.R., Scalmani, G., Barone, V., Petersson, G.A., and Nakatsuji, H. (2016). Gaussian, Inc."},{"key":"ref_88","doi-asserted-by":"crossref","first-page":"154104","DOI":"10.1063\/1.3382344","article-title":"A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu","volume":"132","author":"Grimme","year":"2010","journal-title":"J. Chem. Phys."},{"key":"ref_89","doi-asserted-by":"crossref","first-page":"5648","DOI":"10.1063\/1.464913","article-title":"Density-functional thermochemistry. III. The role of exact exchange","volume":"98","author":"Becke","year":"1993","journal-title":"J. Chem. Phys."},{"key":"ref_90","doi-asserted-by":"crossref","first-page":"785","DOI":"10.1103\/PhysRevB.37.785","article-title":"Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density","volume":"37","author":"Lee","year":"1988","journal-title":"Physical Review B"},{"key":"ref_91","doi-asserted-by":"crossref","first-page":"227","DOI":"10.1021\/je201095b","article-title":"Evaluation of Accuracy of Ideal-Gas Heat Capacity and Entropy Calculations by Density Functional Theory (DFT) for Rigid Molecules","volume":"57","author":"Fulem","year":"2012","journal-title":"J. Chem. Eng. Data"},{"key":"ref_92","doi-asserted-by":"crossref","first-page":"1382","DOI":"10.1021\/je4001558","article-title":"Evaluation of Uncertainty of Ideal-Gas Entropy and Heat Capacity Calculations by Density Functional Theory (DFT) for Molecules Containing Symmetrical Internal Rotors","volume":"58","author":"Fulem","year":"2013","journal-title":"J. Chem. Eng. Data"},{"key":"ref_93","doi-asserted-by":"crossref","first-page":"224101","DOI":"10.1063\/1.5093767","article-title":"First-principles calculation of ideal-gas thermodynamic properties of long-chain molecules by R1SM approach\u2014Application to n-alkanes","volume":"150","author":"Fulem","year":"2019","journal-title":"J. Chem. Phys."},{"key":"ref_94","doi-asserted-by":"crossref","first-page":"428","DOI":"10.1063\/1.1723744","article-title":"Energy Levels and Thermodynamic Functions for Molecules with Internal Rotation I. Rigid Frame with Attached Tops","volume":"10","author":"Pitzer","year":"1942","journal-title":"J. Chem. Phys."},{"key":"ref_95","doi-asserted-by":"crossref","first-page":"3571","DOI":"10.1063\/1.456888","article-title":"The Fourier Grid Hamiltonian Method for Bound-State Eigenvalues and Eigenfunctions","volume":"91","author":"Marston","year":"1989","journal-title":"J. Chem. Phys."},{"key":"ref_96","doi-asserted-by":"crossref","first-page":"445","DOI":"10.1021\/acs.jced.6b00757","article-title":"Analysis of Uncertainty in the Calculation of Ideal-Gas Thermodynamic Properties Using the One-Dimensional Hindered Rotor (1-DHR) Model","volume":"62","author":"Fulem","year":"2017","journal-title":"J. Chem. Eng. Data"},{"key":"ref_97","doi-asserted-by":"crossref","first-page":"1003","DOI":"10.1016\/0009-2509(74)80092-8","article-title":"Method for correlating and extending vapor pressure data to lower temperatures using thermal data. Vapor pressure equations for some n-alkanes at temperatures below the normal boiling point","volume":"29","author":"King","year":"1974","journal-title":"Chem. Eng. Sci."},{"key":"ref_98","doi-asserted-by":"crossref","first-page":"61","DOI":"10.1016\/j.jct.2018.08.034","article-title":"Reconciled thermophysical data for anthracene","volume":"129","author":"Mahnel","year":"2019","journal-title":"J. Chem. Thermodyn."},{"key":"ref_99","doi-asserted-by":"crossref","first-page":"613","DOI":"10.1021\/ie50317a029","article-title":"Hydrocarbon vapor pressures","volume":"28","author":"Cox","year":"1936","journal-title":"Ind. Eng. Chem."}],"container-title":["Molecules"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.mdpi.com\/1420-3049\/29\/5\/1110\/pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,10]],"date-time":"2025-10-10T14:07:50Z","timestamp":1760105270000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.mdpi.com\/1420-3049\/29\/5\/1110"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2024,3,1]]},"references-count":99,"journal-issue":{"issue":"5","published-online":{"date-parts":[[2024,3]]}},"alternative-id":["molecules29051110"],"URL":"https:\/\/doi.org\/10.3390\/molecules29051110","relation":{},"ISSN":["1420-3049"],"issn-type":[{"value":"1420-3049","type":"electronic"}],"subject":[],"published":{"date-parts":[[2024,3,1]]}}}