ABSTRACT

In this work, a thermodynamic study of important industrial solvents, dimethyl carbonate (CAS RN: 616-38-6), diethyl carbonate (CAS RN: 105-58-8), and dipropyl carbonate (CAS RN: 623-96-1) is presented. The vapor pressure pressure measurements were performed using the static method in the temperature interval (238 to 308) K. Heat capacities of condensed phases were measured by Tian Calvet calorimetry in the temperature interval (260 to 358) K. The phase behavior was investigated by DSC in the temperature interval (183 to 300) K. The thermodynamic properties in the ideal gaseous state were calculated using the methods of statistical thermodynamics based on calculated fundamental vibrational frequencies and molecular structure data. Calculated ideal-gas heat capacities and experimental data on vapor pressures, condensed phase heat capacities, and vaporization enthalpies were treated simultaneously to obtain a consistent thermodynamic description.

Compounds

#	Formula	Name
1	C3H6O3	dimethyl carbonate
2	C5H10O3	diethyl carbonate
3	C7H14O3	dipropyl carbonate

Datasets

The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type	Compound-#	Property	Variable	Constraint	Phase	Method	#Points
POMD	1	Normal melting temperature, K ; Crystal 1			Crystal 1 Liquid Air at 1 atmosphere	DTA	1
POMD	1	Triple point temperature, K ; Crystal 2			Crystal 2 Crystal 1 Air at 1 atmosphere	DSC	1
POMD	1	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 1			Crystal 1 Liquid Air at 1 atmosphere	DSC	1
POMD	1	Vapor or sublimation pressure, kPa ; Crystal	Temperature, K; Crystal		Crystal Gas	Closed cell (Static) method	27
POMD	1	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Extra sensitive DSC	5
POMD	1	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Extra sensitive DSC	9
POMD	2	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	DTA	1
POMD	2	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	2	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid		Liquid Gas	Closed cell (Static) method	42
POMD	2	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Extra sensitive DSC	20
POMD	3	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	DTA	1
POMD	3	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	3	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid		Liquid Gas	Closed cell (Static) method	48
POMD	3	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Extra sensitive DSC	21

Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Vapor Pressures and Thermophysical Properties of Dimethyl Carbonate, Diethyl Carbonate, and Dipropyl Carbonate

Pokorny, Vaclav, Stejfa, Vojtech, Fulem, Michal, Cervinka, Ctirad, Ruzicka, Kvetoslav

ABSTRACT