ABSTRACT

The standard massic energies of compounds of 4-tert-butylbiphenyl and 4,40-di-tert-butylbiphenyl were measured at T = 298.15 K by static-bomb combustion calorimetry. The standard enthalpies of vaporization, fusion and sublimation were measured in a Calvet microcalorimeter, or by differential scanning calorimetry. The standard molar enthalpies of formation in the condensed and gaseous states were obtained from these data. The tert-butyl group increments for the substitution of one hydrogen atom in a position 4 in biphenyl molecule were calculated.

Compounds

#	Formula	Name
1	CO2	carbon dioxide
2	H2O	water
3	O2	oxygen
4	C20H26	4,4'-bis(1,1-dimethylethyl)-1,1'-biphenyl
5	C16H18	4-(1,1-dimethylethyl)-1,1'-biphenyl

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	Normal melting temperature, K ; Crystal		Crystal Liquid Air at 1 atmosphere	DTA	1
POMD	4	Molar enthalpy of vaporization or sublimation, kJ/mol ; Crystal	Temperature, K; Crystal	Crystal Gas	Static calorimetry	1
POMD	4	Mass density, kg/m3 ; Crystal	Temperature, K; Crystal Pressure, kPa; Crystal	Crystal	UNKNOWN	1
POMD	5	Normal melting temperature, K ; Crystal		Crystal Liquid Air at 1 atmosphere	DTA	1
POMD	5	Molar enthalpy of vaporization or sublimation, kJ/mol ; Crystal	Temperature, K; Crystal	Crystal Gas	Static calorimetry	1
POMD	5	Molar enthalpy of vaporization or sublimation, kJ/mol ; Liquid	Temperature, K; Liquid	Liquid Gas	Static calorimetry	1
POMD	5	Mass density, kg/m3 ; Crystal	Temperature, K; Crystal Pressure, kPa; Crystal	Crystal	UNKNOWN	1
RXND	4 1 2 3	Specific internal energy of reaction at constant volume, J/g			Static bomb calorimetry	1
RXND	5 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

Thermochemical studies of 4-tert-butylbiphenyl and 4,40-di-tert-butylbiphenyl

Melkhanova, S. V.[Svetlana V.], Pimenova, S. M., Chelovskaya, N. V., Miroshnichenko, E. A., Pashchenko, L. L., Nesterov, I. A.[Igor A.], Naumkin, P. V.

ABSTRACT