ABSTRACT

Isobaric heat capacities in the liquid and in the solid phases of seven isomeric pentanols were measured by adiabatic calorimetry. Results obtained cover the following temperature ranges: 2-methyl-1-butanol from 85 K to 301 K; 2-methyl-2-butanol from 84 K to 301 K; 3-methyl-1-butanol from 79 K to 158 K; 3-methyl-2-butanol from 85 K to 301 K; 2,2-dimethyl-1-propanol from 6 K to 381 K; 2-pentanol from 80 K to 301 K; and 3-pentanol from 5 K to 309 K. The temperature and enthalpy of phase transition were also determined. Solid to solid and solid to liquid phase transitions were detected for 2-methyl-2-butanol and for 2,2-dimethyl-1-propanol, and a solid to liquid phase transition was detected for 3-pentanol. Only a glass to liquid phase transition was detected for all the remaining compounds. The heat capacity data in the liquid phase obtained in this work were merged with available experimental data from the literature and critically assessed, and sets of recommended data were developed by correlating selected data as a function of temperature.

Compounds

#	Formula	Name
1	C5H12O	2,2-dimethyl-1-propanol
2	C5H12O	2-methyl-1-butanol
3	C5H12O	2-methylbutan-2-ol
4	C5H12O	3-methylbutan-1-ol
5	C5H12O	3-methyl-2-butanol
6	C5H12O	pentan-2-ol
7	C5H12O	3-pentanol

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	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 1			Crystal 1 Liquid Gas	ADIACA:UFactor:8	1
POMD	1	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2			Crystal 2 Crystal 1 Gas	ADIACA:UFactor:8	1
POMD	1	Triple point temperature, K ; Crystal 2			Crystal 2 Crystal 1 Gas	ADIACA:UFactor:8	1
POMD	1	Triple point temperature, K ; Crystal 1			Crystal 1 Liquid Air at 1 atmosphere	ADIACA:UFactor:8	1
POMD	1	Molar heat capacity at constant pressure, J/K/mol ; Crystal 2	Temperature, K; Crystal 2	Pressure, kPa; Crystal 2	Crystal 2	Vacuum adiabatic calorimetry	154
POMD	1	Molar heat capacity at constant pressure, J/K/mol ; Crystal 1	Temperature, K; Crystal 1	Pressure, kPa; Crystal 1	Crystal 1	VADIAC:UFactor:8	9
POMD	1	Molar heat capacity at constant pressure, J/K/mol ; Crystal 1	Temperature, K; Crystal 1	Pressure, kPa; Crystal 1	Crystal 1	VADIAC:UFactor:8	62
POMD	1	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:8	5
POMD	1	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:8	56
POMD	1	Molar heat capacity at constant pressure, J/K/mol ; Crystal 2	Temperature, K; Crystal 2	Pressure, kPa; Crystal 2	Crystal 2	VADIAC:UFactor:8	32
POMD	1	Molar enthalpy, kJ/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:8	5
POMD	1	Molar enthalpy, kJ/mol ; Crystal 1	Temperature, K; Crystal 1	Pressure, kPa; Crystal 1	Crystal 1	VADIAC:UFactor:8	10
POMD	1	Molar enthalpy, kJ/mol ; Crystal 2	Temperature, K; Crystal 2	Pressure, kPa; Crystal 2	Crystal 2	VADIAC:UFactor:8	33
POMD	1	Molar entropy, J/K/mol ; Crystal 2	Temperature, K; Crystal 2	Pressure, kPa; Crystal 2	Crystal 2	VADIAC:UFactor:8	33
POMD	1	Molar entropy, J/K/mol ; Crystal 1	Temperature, K; Crystal 1	Pressure, kPa; Crystal 1	Crystal 1	VADIAC:UFactor:8	10
POMD	1	Molar entropy, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:8	5
POMD	2	Triple point temperature, K ; Glass			Glass Liquid Gas	Adiabatic calorimetry	1
POMD	2	Molar heat capacity at constant pressure, J/K/mol ; Glass	Temperature, K; Glass	Pressure, kPa; Glass	Glass	VADIAC:UFactor:8	51
POMD	2	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:8	199
POMD	3	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 3			Crystal 3 Crystal 2 Gas	ADIACA:UFactor:8	1
POMD	3	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 1			Crystal 1 Liquid Gas	ADIACA:UFactor:8	1
POMD	3	Triple point temperature, K ; Crystal 2			Crystal 2 Crystal 1 Gas	ADIACA:UFactor:8	1
POMD	3	Triple point temperature, K ; Crystal 1			Crystal 1 Liquid Gas	ADIACA:UFactor:8	1
POMD	3	Triple point temperature, K ; Crystal 3			Crystal 3 Crystal 2 Gas	ADIACA:UFactor:8	1
POMD	3	Molar heat capacity at constant pressure, J/K/mol ; Crystal 3	Temperature, K; Crystal 3	Pressure, kPa; Crystal 3	Crystal 3	VADIAC:UFactor:8	72
POMD	3	Molar heat capacity at constant pressure, J/K/mol ; Crystal 2	Temperature, K; Crystal 2	Pressure, kPa; Crystal 2	Crystal 2	VADIAC:UFactor:8	84
POMD	3	Molar heat capacity at constant pressure, J/K/mol ; Crystal 1	Temperature, K; Crystal 1	Pressure, kPa; Crystal 1	Crystal 1	VADIAC:UFactor:8	39
POMD	4	Triple point temperature, K ; Glass			Glass Liquid Gas	ADIACA:UFactor:8	1
POMD	4	Molar heat capacity at constant pressure, J/K/mol ; Glass	Temperature, K; Glass	Pressure, kPa; Glass	Glass	VADIAC:UFactor:8	21
POMD	4	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:8	41
POMD	5	Molar heat capacity at constant pressure, J/K/mol ; Glass	Temperature, K; Glass	Pressure, kPa; Glass	Glass	VADIAC:UFactor:8	46
POMD	5	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:8	125
POMD	6	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:8	157
POMD	6	Molar heat capacity at constant pressure, J/K/mol ; Glass	Temperature, K; Glass	Pressure, kPa; Glass	Glass	VADIAC:UFactor:8	79
POMD	7	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 1			Crystal 1 Liquid Gas	ADIACA:UFactor:8	1
POMD	7	Triple point temperature, K ; Crystal			Crystal Liquid Gas	ADIACA:UFactor:8	1
POMD	7	Triple point temperature, K ; Glass			Glass Liquid Gas	ADIACA:UFactor:8	1
POMD	7	Molar heat capacity at constant pressure, J/K/mol ; Glass	Temperature, K; Glass	Pressure, kPa; Glass	Glass	VADIAC:UFactor:8	12
POMD	7	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:8	115
POMD	7	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:8	11
POMD	7	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	VADIAC:UFactor:8	142
POMD	7	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	VADIAC:UFactor:8	30
POMD	7	Molar enthalpy, kJ/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	VADIAC:UFactor:8	30
POMD	7	Molar enthalpy, kJ/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:8	11
POMD	7	Molar entropy, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	VADIAC:UFactor:8	30
POMD	7	Molar entropy, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vacuum adiabatic calorimetry	11

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

Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols

Straka, M.[Martin], van Genderen, A.[Aad], Ruzicka, K.[Kvetoslav], Ruzicka, V.[Vlastimil]

ABSTRACT