ABSTRACT

The heat capacity of 2-methyl-3-buten-2-ol over the interval T = (5 to 370) K was measured in an adiabatic calorimeter. The standard entropy and heat capacity of the liquid phase at a reference temperature 298.15 K were found to be So m = (232.6 +- 1.0) J K 1 mol 1 and Cs,m = (237.4 +- 0.9) J K 1 mol 1. The triple-point temperature Tfus = (245.03 +- 0.03) K and the corresponding enthalpy of fusion Dcr l Ho m = (5.199 +- 0.012) kJ mol 1 were also determined. The enthalpy of vaporisation was determined with a Calvet-type calorimeter to be Dgl Ho mo305:1 KP = (46.9 +- 1.6) kJ mol 1. The vapour pressure over the temperature interval (280 to 328) K was measured with a static technique. The standard entropy of vaporisation at T = 298.15 K was found to be Dl gSo m = (132.7 +- 0.2) J K 1 mol 1. The standard enthalpy of combustion for liquid 2-methyl-3-buten-2-ol DcHo m(l, 298.15 K) = (3145.1 +- 2.7) kJ mol 1 was measured with two static-bomb isoperibol combustion calorimeters. From the experimental data, the standard enthalpies of formation for liquid and gaseous 2-methyl-3-buten-2-ol were found to be DfHo m(l, 298.15 K) = (251.6 +- 2.8) kJ mol 1 and DfHo m (g, 298.15 K) = (203.3 +- 2.8) kJ mol 1, respectively. The latter value was confirmed by high-level quantum chemical calculations. Molecular association in the gas phase and its effect on thermodynamic properties of the compound were discussed.

Compounds

#	Formula	Name
1	CO2	carbon dioxide
2	H2O	water
3	O2	oxygen
4	C5H10O	2-methyl-3-buten-2-ol

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	4	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2			Crystal 2 Crystal 1 Gas	Adiabatic calorimetry	1
POMD	4	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 1			Crystal 1 Liquid Gas	Adiabatic calorimetry	1
POMD	4	Molar enthalpy of vaporization or sublimation, kJ/mol ; Liquid	Temperature, K; Liquid		Liquid Gas	Static calorimetry	1
POMD	4	Triple point temperature, K ; Crystal 2			Crystal 2 Crystal 1 Gas	Adiabatic calorimetry	1
POMD	4	Triple point temperature, K ; Crystal 1			Crystal 1 Liquid Gas	Adiabatic calorimetry	1
POMD	4	Molar heat capacity at saturation pressure, J/K/mol ; Crystal 2	Temperature, K; Crystal 2		Crystal 2 Gas	Small (less than 1 g) adiabatic calorimetry	14
POMD	4	Molar enthalpy function {Hm(T)-Hm(0)}/T, J/K/mol ; Crystal 2	Temperature, K; Crystal 2	Pressure, kPa; Crystal 2	Crystal 2	Small (less than 1 g) adiabatic calorimetry	14
POMD	4	Molar entropy, J/K/mol ; Crystal 2	Temperature, K; Crystal 2	Pressure, kPa; Crystal 2	Crystal 2	Small (less than 1 g) adiabatic calorimetry	14
POMD	4	Molar heat capacity at saturation pressure, J/K/mol ; Crystal 1	Temperature, K; Crystal 1		Crystal 1 Gas	Small (less than 1 g) adiabatic calorimetry	18
POMD	4	Molar enthalpy function {Hm(T)-Hm(0)}/T, J/K/mol ; Crystal 1	Temperature, K; Crystal 1	Pressure, kPa; Crystal 1	Crystal 1	Small (less than 1 g) adiabatic calorimetry	18
POMD	4	Molar entropy, J/K/mol ; Crystal 1	Temperature, K; Crystal 1	Pressure, kPa; Crystal 1	Crystal 1	Small (less than 1 g) adiabatic calorimetry	18
POMD	4	Molar heat capacity at saturation pressure, J/K/mol ; Liquid	Temperature, K; Liquid		Liquid Gas	Small (less than 1 g) adiabatic calorimetry	16
POMD	4	Molar enthalpy function {Hm(T)-Hm(0)}/T, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Small (less than 1 g) adiabatic calorimetry	16
POMD	4	Molar entropy, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Small (less than 1 g) adiabatic calorimetry	16
POMD	4	Molar heat capacity at saturation pressure, J/K/mol ; Crystal 2	Temperature, K; Crystal 2		Crystal 2 Gas	Small (less than 1 g) adiabatic calorimetry	100
POMD	4	Molar heat capacity at saturation pressure, J/K/mol ; Crystal 1	Temperature, K; Crystal 1		Crystal 1 Gas	Small (less than 1 g) adiabatic calorimetry	207
POMD	4	Molar heat capacity at saturation pressure, J/K/mol ; Liquid	Temperature, K; Liquid		Liquid Gas	Small (less than 1 g) adiabatic calorimetry	100
POMD	4	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid		Liquid Gas	Closed cell (Static) method	45
POMD	2	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid		Liquid Gas	Closed cell (Static) method	32
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

Comprehensive study of the thermodynamic properties for 2-methyl-3-buten-2-ol

Zaitsau, D.[Dzmitry], Paulechka, E.[Eugene], Firaha, D. S.[Dzmitry S.], Blokhin, A. V.[Andrey V.], Kabo, G. J.[Gennady J.], Bazyleva, A.[Ala], Kabo, A. G.[Andrey G.], Varfolomeev, M. A.[Mikhail A.], Sevruk, V. M.[Viktor M.]

ABSTRACT