ABSTRACT

The measurements of the values of the enthalpy of formation, vaporisation, sublimation and fusion of 2-methyl lactic acid have been performed using methods of combustion calorimetry, transpiration method and differential scanning calorimetry. A conformational analysis has been conducted to identify a set of stable conformers of the compound. Methods of statistical thermodynamics have been used to calculate the thermodynamic functions of the acid in the ideal gas state considering the contribution of the internal rotation in "rigid rotator - anharmonic oscillator" approximation within temperature interval (298.15-1500) K for the conformers under study.

Compounds

#	Formula	Name
1	CO2	carbon dioxide
2	H2O	water
3	O2	oxygen
4	C4H8O3	2-hydroxy-2-methylpropanoic acid

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	4	Mass density, kg/m3 ; Crystal	Temperature, K; Crystal Pressure, kPa; Crystal	Crystal	Pycnometric method	1
POMD	4	Normal melting temperature, K ; Crystal		Crystal Liquid Air at 1 atmosphere	DTA	1
POMD	4	Molar enthalpy of transition or fusion, kJ/mol ; Crystal		Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	4	Vapor or sublimation pressure, kPa ; Crystal	Temperature, K; Crystal	Crystal Gas	Transpiration method	8
POMD	4	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid	Liquid Gas	Transpiration method	11
RXND	4 1 2 3	Specific internal energy of reaction at constant volume, J/g			Static bomb calorimetry	1

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Thermodynamic properties of 2-methyl lactic acid

Emel'yanenko, Vladimir N., Turovtsev, Vladimir V., Fedina, Yulia A., Sikorski, Patryk

ABSTRACT