ABSTRACT

Molar heat capacities,C_P,123 and C_P,mix, have been measured for the ternary ochlorotoluene (1) + tetrahydropyran (2) + benzene or toluene or o-xylene (3) and their binaries tetrahydropyran (1) + benzene or toluene or o-xylene (2) at 298.15, 303.15 and 308.15 K. From the experimental results, excess heat capacities, C_P,123^E and C_P,mix^E values are calculated and fitted to Redlich-Kister equation to determine binary and ternary adjustable parameters along with standard deviations. The observed excess heat capacity data have been analyzed by utilizing topology of the constituent molecules (Graph theory). The estimated excess heat capacity values from Graph theory are in agreement with experimental values. The interaction parameters for binary mixtures (simulated by Graph theory) have been discussed to obtain information about molecular interactions in mixtures.

Compounds

#	Formula	Name
1	C7H7Cl	2-chlorotoluene
2	C5H10O	tetrahydropyran
3	C6H6	benzene
4	C7H8	toluene
5	C8H10	1,2-dimethylbenzene

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	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	3
POMD	1	Speed of sound, m/s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Sing-around technique in a fixed-path interferometer	3
POMD	1	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Small sample (50 mg) DSC	3
POMD	2	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	3
POMD	2	Speed of sound, m/s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Sing-around technique in a fixed-path interferometer	3
POMD	2	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Small sample (50 mg) DSC	3
POMD	3	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	3
POMD	3	Speed of sound, m/s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Sing-around technique in a fixed-path interferometer	3
POMD	3	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Small sample (50 mg) DSC	3
POMD	4	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	3
POMD	4	Speed of sound, m/s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Sing-around technique in a fixed-path interferometer	3
POMD	4	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Small sample (50 mg) DSC	3
POMD	5	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	3
POMD	5	Speed of sound, m/s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Sing-around technique in a fixed-path interferometer	3
POMD	5	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Small sample (50 mg) DSC	3
POMD	3 2	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid Mole fraction - 2; Liquid	Pressure, kPa; Liquid	Liquid	Small sample (50 mg) DSC	72
POMD	4 2	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid Mole fraction - 2; Liquid	Pressure, kPa; Liquid	Liquid	Small sample (50 mg) DSC	72
POMD	5 2	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid Mole fraction - 2; Liquid	Pressure, kPa; Liquid	Liquid	Small sample (50 mg) DSC	72
POMD	3 1 2	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid Mole fraction - 2; Liquid	Pressure, kPa; Liquid	Liquid	Small sample (50 mg) DSC	108
POMD	1 4 2	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid Mole fraction - 2; Liquid	Pressure, kPa; Liquid	Liquid	Small sample (50 mg) DSC	108
POMD	5 1 2	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid Mole fraction - 2; Liquid	Pressure, kPa; Liquid	Liquid	Small sample (50 mg) DSC	108

Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Heat capacities of binary and ternary mixtures containing o-chlorotoluene, cyclic ether and aromatic hydrocarbons

Sharma, V. K., Dua, R.[Rajni], Dimple, Jangra, S. K.

ABSTRACT