Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes

Vapor pressures of fluorobenzene, chlorobenzene, 2-chloro-, 3-chloro-, and 4-chloro-methylbenzenes, 2-chloro-1,3-dimethylbenzene, 2,6-dichloro-1-methylbenzene were measured by the transpiration method. Molar standard enthalpies of vaporization at the reference temperature were calculated from temperature dependences of vapor pressures. Available literature data on halogenobenzenes were collected and evaluated by using correlation gas-chromatographic method. Simple group-additivity procedure was developed for estimation vaporization enthalpies of mono- and di-halogen-substituted benzenes. © 2014

Benzoic acid derivatives: Evaluation of thermochemical properties with complementary experimental and computational methods

© 2015 Elsevier B.V. Molar sublimation enthalpies of the methyl- and methoxybenzoic acids were derived from the transpiration method, static method, and TGA. Thermochemical data available in the literature were collected, evaluated, and combined with own experimental results. This collection together with the new experimental results reported here has helped to resolve contradictions in the available enthalpy data and to recommend sets of sublimation and formation enthalpies for the benzoic acid derivatives. Gas-phase enthalpies of formation calculated with the G4 quantum-chemical method were in agreement with the experiment. Pairwise interactions of the methyl, methoxy, and carboxyl substituents on the benzene ring were derived and used for the development of simple group-additivity procedures for estimation of the vaporization enthalpies, gas-phase, and liquid-phase enthalpies of formation of substituted benzenes

Thermochemistry of dihalogen-substituted benzenes: Data evaluation using experimental and quantum chemical methods

© 2014 American Chemical Society. Temperature dependence of vapor pressures for 12 dihalogen-substituted benzenes (halogen = F, Cl, Br, I) was studied by the transpiration method, and molar vaporization or sublimation enthalpies were derived. These data together with results available in the literature were collected and checked for internal consistency using structure-property correlations. Gas-phase enthalpies of formation of dihalogen-substituted benzenes were calculated by using quantum-chemical methods. Evaluated vaporization enthalpies in combination with gas-phase enthalpies of formation were used for estimation liquid-phase enthalpies of formation of dihalogen-substituted benzenes. Pairwise interactions of halogens on the benzene ring were derived and used for development of simple group additivity procedures for estimation of vaporization enthalpies, gas-phase, and liquid-phase enthalpies of formation of dihalogen-substituted benzenes

Vaporization enthalpies of a series of the halogen-substituted fluorobenzenes

© 2014 Elsevier B.V. Vapor pressures of 2-, 3-, and 4-halogen-substituted fluorobenzenes (halogen. =. Cl, Br, and I) were measured by the transpiration method. Molar standard enthalpies of vaporization were calculated from temperature dependences of vapor pressures. New enthalpies of vaporization at 298. K and those available from literature were tested for consistency by correlation gas-chromatography and evaluated by group-additivity method. Contributions to vaporization due to mutual interactions of halogens on the benzene ring were derived and recommended for prediction vaporization enthalpies of halogen-substituted aromatics

Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes

Vapor pressures of fluorobenzene, chlorobenzene, 2-chloro-, 3-chloro-, and 4-chloro-methylbenzenes, 2-chloro-1,3-dimethylbenzene, 2,6-dichloro-1-methylbenzene were measured by the transpiration method. Molar standard enthalpies of vaporization at the reference temperature were calculated from temperature dependences of vapor pressures. Available literature data on halogenobenzenes were collected and evaluated by using correlation gas-chromatographic method. Simple group-additivity procedure was developed for estimation vaporization enthalpies of mono- and di-halogen-substituted benzenes. © 2014

Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes

Vapor pressures of fluorobenzene, chlorobenzene, 2-chloro-, 3-chloro-, and 4-chloro-methylbenzenes, 2-chloro-1,3-dimethylbenzene, 2,6-dichloro-1-methylbenzene were measured by the transpiration method. Molar standard enthalpies of vaporization at the reference temperature were calculated from temperature dependences of vapor pressures. Available literature data on halogenobenzenes were collected and evaluated by using correlation gas-chromatographic method. Simple group-additivity procedure was developed for estimation vaporization enthalpies of mono- and di-halogen-substituted benzenes. © 2014

Benzoic acid derivatives: Evaluation of thermochemical properties with complementary experimental and computational methods

© 2015 Elsevier B.V. Molar sublimation enthalpies of the methyl- and methoxybenzoic acids were derived from the transpiration method, static method, and TGA. Thermochemical data available in the literature were collected, evaluated, and combined with own experimental results. This collection together with the new experimental results reported here has helped to resolve contradictions in the available enthalpy data and to recommend sets of sublimation and formation enthalpies for the benzoic acid derivatives. Gas-phase enthalpies of formation calculated with the G4 quantum-chemical method were in agreement with the experiment. Pairwise interactions of the methyl, methoxy, and carboxyl substituents on the benzene ring were derived and used for the development of simple group-additivity procedures for estimation of the vaporization enthalpies, gas-phase, and liquid-phase enthalpies of formation of substituted benzenes

Benzoic acid derivatives: Evaluation of thermochemical properties with complementary experimental and computational methods

© 2015 Elsevier B.V. Molar sublimation enthalpies of the methyl- and methoxybenzoic acids were derived from the transpiration method, static method, and TGA. Thermochemical data available in the literature were collected, evaluated, and combined with own experimental results. This collection together with the new experimental results reported here has helped to resolve contradictions in the available enthalpy data and to recommend sets of sublimation and formation enthalpies for the benzoic acid derivatives. Gas-phase enthalpies of formation calculated with the G4 quantum-chemical method were in agreement with the experiment. Pairwise interactions of the methyl, methoxy, and carboxyl substituents on the benzene ring were derived and used for the development of simple group-additivity procedures for estimation of the vaporization enthalpies, gas-phase, and liquid-phase enthalpies of formation of substituted benzenes

Benzoic acid derivatives: Evaluation of thermochemical properties with complementary experimental and computational methods

© 2015 Elsevier B.V. Molar sublimation enthalpies of the methyl- and methoxybenzoic acids were derived from the transpiration method, static method, and TGA. Thermochemical data available in the literature were collected, evaluated, and combined with own experimental results. This collection together with the new experimental results reported here has helped to resolve contradictions in the available enthalpy data and to recommend sets of sublimation and formation enthalpies for the benzoic acid derivatives. Gas-phase enthalpies of formation calculated with the G4 quantum-chemical method were in agreement with the experiment. Pairwise interactions of the methyl, methoxy, and carboxyl substituents on the benzene ring were derived and used for the development of simple group-additivity procedures for estimation of the vaporization enthalpies, gas-phase, and liquid-phase enthalpies of formation of substituted benzenes

Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes

Vapor pressures of fluorobenzene, chlorobenzene, 2-chloro-, 3-chloro-, and 4-chloro-methylbenzenes, 2-chloro-1,3-dimethylbenzene, 2,6-dichloro-1-methylbenzene were measured by the transpiration method. Molar standard enthalpies of vaporization at the reference temperature were calculated from temperature dependences of vapor pressures. Available literature data on halogenobenzenes were collected and evaluated by using correlation gas-chromatographic method. Simple group-additivity procedure was developed for estimation vaporization enthalpies of mono- and di-halogen-substituted benzenes. © 2014