ABSTRACT

Vapor pressure and molar standard enthalpies of vaporization of esters of 2-ethyl-2- (hydroxymethyl)-1,3-propandiol (trimethylolpropane, TMP) and straight and branched carboxylic acids with chain length C1, C3-C6, were determinated by the transpiration method. A linear correlation of vaporization enthalpies of trimethylolpropane esters with the number of carbon atoms and with the Kovat's indices on the non-polar DB-1 GC column has been found. Enthalpies of vaporization of tested compounds were also calculated by QSPR-method. These results were checked by experimental values.

Compounds

#	Formula	Name
1	C12H20O6	2-(acetoxymethyl)-2-ethylpropane-1,3-diyl diacetate
2	C18H32O6	2-((butyryloxy)methyl)-2-ethylpropane-1,3-diyl dibutyrate
3	C21H38O6	2-ethyl-2-((pentanoyloxy)methyl)propane-1,3-diyl dipentanoate
4	C24H44O6	2-ethyl-2-((hexanoyloxy)methyl)propane-1,3-diyl dihexanoate
5	C18H32O6	2-ethyl-2-((isobutyryloxy)methyl)propane-1,3-diyl bis(2-methylpropanoate)
6	C21H38O6	2-ethyl-2-(((3-methylbutanoyl)oxy)methyl)propane-1,3-diyl bis(3-methylbutanoate)
7	C21H38O6	2-ethyl-2-((pivaloyloxy)methyl)propane-1,3-diyl bis(2,2-dimethylpropanoate)

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	Phase	Method	#Points
POMD	1	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid	Liquid Gas	Transpiration method	17
POMD	2	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid	Liquid Gas	Transpiration method	15
POMD	3	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid	Liquid Gas	Transpiration method	14
POMD	4	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid	Liquid Gas	Transpiration method	11
POMD	5	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid	Liquid Gas	Transpiration method	16
POMD	6	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid	Liquid Gas	Transpiration method	16
POMD	7	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid	Liquid Gas	Transpiration method	18

Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Vapor pressure and enthalpy of vaporization of trimethylolpropane and carboxylic acids esters

Krasnykh, Eugen L., Druzhinina, Yuliya A., Portnova, Svetlana V., Smirnova, Yana A.

ABSTRACT