The molar heat capacities of 2-(chloromethylthio)benzothiazole (molecular formula C8H6ClNS2, CA registry no. 28908-00-1) were measured with an adiabatic calorimeter in the temperature range between (80 and 350) K. The construction and procedures of the calorimeter were described in detail. The performance of the calorimetric apparatus was evaluated by heat capacity measurements on R-Al2O3. The deviation of experiment heat capacities from the corresponding smoothed values lies within (0.3%, whereas the uncertainty is within (0.5%, compared with that of the recommended reference data over the whole experimental temperature range. A fusion transition was found from the Cp-T curve of 2-(chloromethylthio) benzothiazole. The melting temperature and the molar enthalpy and entropy of fusion of the compound were determined to be Tm ) (315.11 ( 0.04) K, ?fusHm ) (17.02 ( 0.03) kJ?mol-1, and ?fusSm ) (54.04 ( 0.05) J?mol-1?K-1, respectively. The thermodynamic functions (HT - H298.15) and (ST - S298.15) were also derived from the heat capacity data. The molar fraction purity of the 2-(chloromethylthio)- benzothiazole sample used in the present calorimetric study was determined to be 99.21 by fraction melting.
Compounds
#
Formula
Name
1
C8H6ClNS2
2-(chloromethylthio)benzothiazole
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
ADIACA:UFactor:8:FP
1
POMD
1
Triple point temperature, K ; Crystal
Crystal
Liquid
Gas
ADIACA:UFactor:8:FP
1
POMD
1
Molar heat capacity at constant pressure, J/K/mol ; Crystal
Temperature, K; Crystal
Pressure, kPa; Crystal
Crystal
VADIAC:UFactor:8
72
POMD
1
Molar heat capacity at constant pressure, J/K/mol ; Liquid