ABSTRACT

The present paper reports a differential scanning calorimetry (DSC) study of nineteen industrially important compounds that lacked key experimental data in their respective two phase vapor liquid regions. The compounds are: o-tolualdehyde (CAS 529-20-4), m-tolualdehyde (CAS 620-23-5), p-tolualdehyde (CAS 104-87-0), 3-methylbenzyl alcohol (CAS 587-03-1), p-toluic acid (CAS 99-94-5), 1-phenyl-1-propanol (CAS 93-54-9), 1-phenyl-2-propanol (CAS 698-87-3), 2-phenyl-1-propanol (CAS 1123-85-9), 2-isopropylphenol (CAS 88-69-7), 2,5-dimethylfuran (CAS 625-86-5), 5-methylfurfural (CAS 620-02-0), phenyl acetate (CAS 122-79-2), ethyl 2-phenylacetate (CAS 101-97-3), n-hexylcyclohexane (CAS 4292-75-5), 6undecanone (CAS 927-49-1), 1H-perfluorooctane (CAS 335-65-9), 2,6-dimethoxyphenol (CAS 91-10-1), trans-isoeugenol (CAS 5932-68-3), and 1-propoxy-2-propanol (CAS 1569-01-3). New experimental melting temperatures, enthalpies of fusion, glass transition temperatures, and heat capacities of the liquid compounds as a function of temperature are reported with a comparison to similar compounds.

Compounds

#	Formula	Name
1	C8H8O	2-methylbenzaldehyde
2	C8H8O	3-methylbenzaldehyde
3	C8H8O	4-methylbenzaldehyde
4	C8H10O	3-methylbenzyl alcohol
5	C8H8O2	4-methylbenzoic acid
6	C9H12O	1-phenyl-1-propanol
7	C9H12O	1-phenyl-2-propanol
8	C9H12O	2-phenyl-1-propanol
9	C9H12O	2-(1-methylethyl)phenol
10	C6H8O	2,5-dimethylfuran
11	C6H6O2	5-methylfurfural
12	C8H8O2	phenyl ethanoate
13	C10H12O2	ethyl phenylacetate
14	C12H24	hexylcyclohexane
15	C11H22O	undecan-6-one
16	C8HF17	1H-perfluorooctane
17	C8H10O3	1,3-dimethoxy-2-hydroxybenzene
18	C10H12O2	2-methoxy-4-(1E)-1-propen-1-yl-phenol
19	C6H14O2	1-propoxy-2-propanol

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	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	DTA	1
POMD	1	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	1	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	DSC	5
POMD	2	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	DTA	1
POMD	2	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	DSC	5
POMD	3	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	DTA	1
POMD	3	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	3	Molar heat capacity at constant pressure, J/K/mol ; Metastable liquid	Temperature, K; Metastable liquid	Pressure, kPa; Metastable liquid	Metastable liquid	DSC	5
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	Molar heat capacity at constant pressure, J/K/mol ; Metastable liquid	Temperature, K; Metastable liquid	Pressure, kPa; Metastable liquid	Metastable liquid	DSC	5
POMD	5	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	DTA	1
POMD	5	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	5	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	DSC	5
POMD	6	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	DTA	1
POMD	6	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	DSC	5
POMD	6	Boiling temperature at pressure P, K ; Glass	Pressure, kPa; Glass		Glass Liquid	DTA	1
POMD	7	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	DSC	5
POMD	7	Boiling temperature at pressure P, K ; Glass	Pressure, kPa; Glass		Glass Liquid	DTA	1
POMD	8	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	DSC	5
POMD	8	Boiling temperature at pressure P, K ; Glass	Pressure, kPa; Glass		Glass Liquid	DTA	1
POMD	9	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	DTA	1
POMD	9	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	9	Molar heat capacity at constant pressure, J/K/mol ; Metastable liquid	Temperature, K; Metastable liquid	Pressure, kPa; Metastable liquid	Metastable liquid	DSC	5
POMD	10	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	DSC	4
POMD	11	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	DTA	1
POMD	11	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	11	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	DSC	5
POMD	12	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	DTA	1
POMD	12	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	12	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	DSC	5
POMD	13	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	DTA	1
POMD	13	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	13	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	DSC	5
POMD	14	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	DTA	1
POMD	14	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	14	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	DSC	5
POMD	15	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	DTA	1
POMD	15	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	15	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	DSC	5
POMD	16	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	DTA	1
POMD	16	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	16	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	DSC	5
POMD	17	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	DTA	1
POMD	17	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	17	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	DSC	5
POMD	18	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	DTA	1
POMD	18	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	18	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	DSC	5
POMD	19	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	DSC	5

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

Melting Point, Enthalpy of Fusion, and Heat Capacity Measurements of Several Polyfunctional, Industrially Important Compounds by Differential Scanning Calorimetry

Hogge, Joseph W., Long, Emily A., Christian, Michael L., Fankhauser, Andrew D., Quist, Nicole L., Rice, Deborah M., Wilding, Wade V., IV, Thomas A. Knotts

ABSTRACT