{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,10]],"date-time":"2025-10-10T01:07:41Z","timestamp":1760058461005,"version":"build-2065373602"},"reference-count":50,"publisher":"MDPI AG","issue":"7","license":[{"start":{"date-parts":[[2025,3,31]],"date-time":"2025-03-31T00:00:00Z","timestamp":1743379200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"Fundac\u00e3o para a Ci\u00eancia e Tecnologia (FCT)","award":["UIDB\/00081\/2020","UI\/BD\/152715\/2022","LA\/P\/0056\/2020"],"award-info":[{"award-number":["UIDB\/00081\/2020","UI\/BD\/152715\/2022","LA\/P\/0056\/2020"]}]},{"DOI":"10.13039\/501100001871","name":"Fundac\u00e3o para a Ci\u00eancia e Tecnologia (FCT)","doi-asserted-by":"publisher","award":["UIDB\/00081\/2020","UI\/BD\/152715\/2022","LA\/P\/0056\/2020"],"award-info":[{"award-number":["UIDB\/00081\/2020","UI\/BD\/152715\/2022","LA\/P\/0056\/2020"]}],"id":[{"id":"10.13039\/501100001871","id-type":"DOI","asserted-by":"publisher"}]},{"name":"IMS\u2014Institute of Molecular Sciences","award":["UIDB\/00081\/2020","UI\/BD\/152715\/2022","LA\/P\/0056\/2020"],"award-info":[{"award-number":["UIDB\/00081\/2020","UI\/BD\/152715\/2022","LA\/P\/0056\/2020"]}]},{"name":"Institute of Physics for Advanced Materials, Nanotechnology, and Photonics (IFIMUP), University of Porto","award":["UIDB\/00081\/2020","UI\/BD\/152715\/2022","LA\/P\/0056\/2020"],"award-info":[{"award-number":["UIDB\/00081\/2020","UI\/BD\/152715\/2022","LA\/P\/0056\/2020"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>Halogenated benzaldehydes possess unique chemical properties that render them valuable in pharmaceutical synthesis, pesticide formulation, and dye production. However, thorough thermodynamic data for these compounds remain scarce. This study aims to fill this knowledge gap by investigating key physical properties of several halogenated benzaldehydes, namely 4-chlorobenzaldehyde, 4-bromobenzaldehyde, 2,3-dichlorobenzaldehyde, 2,4-dichlorobenzaldehyde, and 2,6-dichlorobenzaldehyde. The physical properties determined in this study include volatility, phase transitions, and water solubility, all of which are crucial for predicting the environmental fate of these compounds. The vapor pressures of both crystalline and liquid phases were measured using a reliable static method, allowing for the determination of standard molar enthalpies, entropies, and Gibbs energies of sublimation and vaporization, as well as their triple points. The melting temperature and molar enthalpy, along with the isobaric molar heat capacity of the crystalline phase, were assessed using differential scanning calorimetry. Water solubility was evaluated at 25 \u00b0C through the saturation shake-flask method, complemented by ultra-violet visible spectroscopy. By combining sublimation and solubility data, additional properties such as Gibbs energies of hydration and Henry\u2019s law constants were derived. The experimental results were integrated into existing databases, enhancing the predictive models for properties including melting temperature, vapor pressure, solubility, Gibbs energy of hydration, and Henry\u2019s constant. These findings significantly improve the environmental modeling capabilities, providing valuable insights into the mobility and fate of halogenated benzaldehydes in various environmental contexts.<\/jats:p>","DOI":"10.3390\/molecules30071551","type":"journal-article","created":{"date-parts":[[2025,3,31]],"date-time":"2025-03-31T08:48:00Z","timestamp":1743410880000},"page":"1551","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Exploring the Volatility, Phase Transitions, and Solubility Properties of Five Halogenated Benzaldehydes"],"prefix":"10.3390","volume":"30","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-5424-5674","authenticated-orcid":false,"given":"Ana R. R. P.","family":"Almeida","sequence":"first","affiliation":[{"name":"Research Centre in Chemistry (CIQUP), Institute of Molecular Sciences (IMS), Department of Chemistry and Biochemistry (DQB), Faculty of Sciences, University of Porto, Rua do Campo Alegre 687, 4169-007 Porto, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0076-445X","authenticated-orcid":false,"given":"Bruno D. A.","family":"Pinheiro","sequence":"additional","affiliation":[{"name":"Research Centre in Chemistry (CIQUP), Institute of Molecular Sciences (IMS), Department of Chemistry and Biochemistry (DQB), Faculty of Sciences, University of Porto, Rua do Campo Alegre 687, 4169-007 Porto, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6813-4492","authenticated-orcid":false,"given":"Gast\u00f3n P.","family":"Le\u00f3n","sequence":"additional","affiliation":[{"name":"Research Centre in Chemistry (CIQUP), Institute of Molecular Sciences (IMS), Department of Chemistry and Biochemistry (DQB), Faculty of Sciences, University of Porto, Rua do Campo Alegre 687, 4169-007 Porto, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3426-5085","authenticated-orcid":false,"given":"Bogdan","family":"Postolnyi","sequence":"additional","affiliation":[{"name":"Institute of Physics for Advanced Materials, Nanotechnology and Photonics (IFIMUP), Department of Physics and Astronomy (DFA), Faculty of Sciences, University of Porto, Rua do Campo Alegre 687, 4169-007 Porto, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1646-7727","authenticated-orcid":false,"given":"Jo\u00e3o P.","family":"Ara\u00fajo","sequence":"additional","affiliation":[{"name":"Institute of Physics for Advanced Materials, Nanotechnology and Photonics (IFIMUP), Department of Physics and Astronomy (DFA), Faculty of Sciences, University of Porto, Rua do Campo Alegre 687, 4169-007 Porto, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2210-3559","authenticated-orcid":false,"given":"Manuel J. S.","family":"Monte","sequence":"additional","affiliation":[{"name":"Research Centre in Chemistry (CIQUP), Institute of Molecular Sciences (IMS), Department of Chemistry and Biochemistry (DQB), Faculty of Sciences, University of Porto, Rua do Campo Alegre 687, 4169-007 Porto, Portugal"}]}],"member":"1968","published-online":{"date-parts":[[2025,3,31]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"6042","DOI":"10.1080\/07391102.2023.2239917","article-title":"Insights into in-vitro studies and molecular modelling of the antimicrobial efficiency of 4-chlorobenzaldehyde and 4-methoxybenzaldehyde derivatives","volume":"42","author":"Mohamed","year":"2023","journal-title":"J. Biomol. Struct. 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