ABSTRACT

Molar heat capacities of 13 methyl esters of the linear carboxylic acids from methyloctanoate to methyleicosanoate were measured from 5 K to 350 K. The derived thermodynamic functions Sabs,m(T) and Hm(T)-H(0) were calculated. A correlation function for the absolute entropy at 298.15 K was found to be Sabs(n,298,15 K) = {215.94 + 31.517n} J?K-1?mol-1, with n being the number of carbon atoms in the parent carboxylic acid minus one. The heat capacity of the liquid phases in the temperature range of 250 K to 350 K can be described by Cp(n,T) = {103.16 +16.273n+0.04735nT} J?K-1?mol-1, with a mean absolute percentage deviation of 0.3 %.

Compounds

#	Formula	Name
1	C9H18O2	methyl octanoate
2	C10H20O2	methyl nonanoate
3	C11H22O2	methyl decanoate
4	C12H24O2	methyl undecanoate
5	C13H26O2	methyl dodecanoate
6	C14H28O2	methyl tridecanoate
7	C15H30O2	methyl tetradecanoate
8	C16H32O2	methyl pentadecanoate
9	C17H34O2	methyl hexadecanoate
10	C18H36O2	methyl heptadecanoate
11	C19H38O2	methyl octadecanoate
12	C20H40O2	methyl nonadecanoate
13	C21H42O2	methyl eicosanoate

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			Crystal Liquid Gas	Adiabatic calorimetry	1
POMD	1	Triple point temperature, K ; Crystal			Crystal Liquid Gas	ADIACA:UFactor:4	1
POMD	1	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	VADIAC:UFactor:2	24
POMD	1	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:2	12
POMD	1	Molar enthalpy, kJ/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	VADIAC:UFactor:2	24
POMD	1	Molar enthalpy, kJ/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:2	12
POMD	1	Molar entropy, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	VADIAC:UFactor:2	24
POMD	1	Molar entropy, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:2	12
POMD	2	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Gas	ADIACA:UFactor:4	1
POMD	2	Triple point temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	ADIACA:UFactor:4	1
POMD	2	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	VADIAC:UFactor:2	24
POMD	2	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:2	12
POMD	2	Molar enthalpy, kJ/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	VADIAC:UFactor:2	24
POMD	2	Molar enthalpy, kJ/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:2	12
POMD	2	Molar entropy, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	VADIAC:UFactor:2	24
POMD	2	Molar entropy, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:2	12
POMD	3	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Gas	ADIACA:UFactor:4	1
POMD	3	Triple point temperature, K ; Crystal			Crystal Liquid Gas	ADIACA:UFactor:4	1
POMD	3	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	VADIAC:UFactor:2	26
POMD	3	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:2	9
POMD	3	Molar enthalpy, kJ/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	VADIAC:UFactor:2	27
POMD	3	Molar enthalpy, kJ/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:2	9
POMD	3	Molar entropy, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	VADIAC:UFactor:2	27
POMD	3	Molar entropy, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:2	9
POMD	4	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Gas	ADIACA:UFactor:4	1
POMD	4	Triple point temperature, K ; Crystal			Crystal Liquid Gas	ADIACA:UFactor:4	1
POMD	4	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	VADIAC:UFactor:2	26
POMD	4	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:2	9
POMD	4	Molar enthalpy, kJ/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	VADIAC:UFactor:2	27
POMD	4	Molar enthalpy, kJ/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:2	9
POMD	4	Molar entropy, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	VADIAC:UFactor:2	27
POMD	4	Molar entropy, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vacuum adiabatic calorimetry	9
POMD	5	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Gas	ADIACA:UFactor:4	1
POMD	5	Triple point temperature, K ; Crystal			Crystal Liquid Gas	ADIACA:UFactor:4	1
POMD	5	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	VADIAC:UFactor:2	28
POMD	5	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:2	8
POMD	5	Molar enthalpy, kJ/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	VADIAC:UFactor:2	28
POMD	5	Molar enthalpy, kJ/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:2	8
POMD	5	Molar entropy, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	VADIAC:UFactor:2	28
POMD	5	Molar entropy, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:2	8
POMD	6	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Gas	ADIACA:UFactor:4	1
POMD	6	Triple point temperature, K ; Crystal			Crystal Liquid Gas	ADIACA:UFactor:4	1
POMD	6	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	VADIAC:UFactor:2	28
POMD	6	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:2	6
POMD	6	Molar enthalpy, kJ/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	VADIAC:UFactor:2	28
POMD	6	Molar enthalpy, kJ/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:2	6
POMD	6	Molar entropy, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	VADIAC:UFactor:2	28
POMD	6	Molar entropy, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:2	6
POMD	7	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Gas	ADIACA:UFactor:4	1
POMD	7	Triple point temperature, K ; Crystal			Crystal Liquid Gas	ADIACA:UFactor:4	1
POMD	7	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	VADIAC:UFactor:2	29
POMD	7	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:2	6
POMD	7	Molar enthalpy, kJ/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	VADIAC:UFactor:2	29
POMD	7	Molar enthalpy, kJ/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:2	6
POMD	7	Molar entropy, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	VADIAC:UFactor:2	29
POMD	7	Molar entropy, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:2	6
POMD	8	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Gas	ADIACA:UFactor:4	1
POMD	8	Triple point temperature, K ; Crystal			Crystal Liquid Gas	ADIACA:UFactor:4	1
POMD	8	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	VADIAC:UFactor:2	29
POMD	8	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:2	5
POMD	8	Molar enthalpy, kJ/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	VADIAC:UFactor:2	30
POMD	8	Molar enthalpy, kJ/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:2	5
POMD	8	Molar entropy, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	VADIAC:UFactor:2	30
POMD	8	Molar entropy, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:2	5
POMD	9	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Gas	ADIACA:UFactor:4	1
POMD	9	Triple point temperature, K ; Crystal			Crystal Liquid Gas	Adiabatic calorimetry	1
POMD	9	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	VADIAC:UFactor:2	31
POMD	9	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:2	5
POMD	9	Molar enthalpy, kJ/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	VADIAC:UFactor:2	31
POMD	9	Molar enthalpy, kJ/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:2	5
POMD	9	Molar entropy, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	VADIAC:UFactor:2	31
POMD	9	Molar entropy, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:2	5
POMD	10	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Gas	ADIACA:UFactor:4	1
POMD	10	Triple point temperature, K ; Crystal			Crystal Liquid Gas	ADIACA:UFactor:4	1
POMD	10	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	VADIAC:UFactor:4	30
POMD	10	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:2	5
POMD	10	Molar enthalpy, kJ/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	VADIAC:UFactor:2	31
POMD	10	Molar enthalpy, kJ/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:2	5
POMD	10	Molar entropy, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	VADIAC:UFactor:2	31
POMD	10	Molar entropy, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:2	5
POMD	11	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Gas	ADIACA:UFactor:4	1
POMD	11	Triple point temperature, K ; Crystal			Crystal Liquid Gas	ADIACA:UFactor:4	1
POMD	11	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	VADIAC:UFactor:2	30
POMD	11	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:2	4
POMD	11	Molar enthalpy, kJ/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	VADIAC:UFactor:2	31
POMD	11	Molar enthalpy, kJ/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:2	4
POMD	11	Molar entropy, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	VADIAC:UFactor:2	31
POMD	11	Molar entropy, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:2	4
POMD	12	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Gas	ADIACA:UFactor:4	1
POMD	12	Triple point temperature, K ; Crystal			Crystal Liquid Gas	ADIACA:UFactor:4	1
POMD	12	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	VADIAC:UFactor:2	31
POMD	12	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:2	4
POMD	12	Molar enthalpy, kJ/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	VADIAC:UFactor:2	31
POMD	12	Molar enthalpy, kJ/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:2	4
POMD	12	Molar entropy, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	VADIAC:UFactor:2	31
POMD	12	Molar entropy, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:2	4
POMD	13	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Gas	ADIACA:UFactor:4	1
POMD	13	Triple point temperature, K ; Crystal			Crystal Liquid Gas	ADIACA:UFactor:4	1
POMD	13	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	VADIAC:UFactor:2	31
POMD	13	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:2	3
POMD	13	Molar enthalpy, kJ/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	VADIAC:UFactor:2	32
POMD	13	Molar enthalpy, kJ/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:2	3
POMD	13	Molar entropy, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	VADIAC:UFactor:2	32
POMD	13	Molar entropy, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:2	3

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

Heat Capacity Measurements of 13 Methyl Esters of n-Carboxylic Acids from Methyloctanoate to Methyleicosanoate between 5 K and 350 K

van Miltenburg, J. C., Oonk, H. A. J.[Harry A. J.], Van Bommel, M. J.

ABSTRACT