Abstract
In this work, an additive scheme for the estimation of solvation enthalpy of saturated and unsaturated aliphatic hydrocarbons, alcohols, ketones, aldehydes and nitriles in n-heptane was developed. The proposed structural fragments for hydrocarbon group contributions and functional groups (OH, >СО and С(О)H) are independent of the nature of neighbouring atoms. In most cases absolute deviations between experimental and estimated solvation enthalpies for saturated and unsaturated aliphatic hydrocarbons, alcohols, ketones, aldehydes, and nitriles in n-heptane do not exceed 1–2kJ·mol−1. The developed additive approach for solvation enthalpy together with solution enthalpies can be used for quick estimation of standard vaporization and sublimation enthalpies of aliphatic compounds (including biomolecules) at 298.15K.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
