Thermochemical properties of 1,3-propanediol are in disarray. A new standard (p = 0.1 MPa) molar enthalpy of formation at the temperature T = 298.15 K of the liquid 1,3-propanediol was measured using combustion calorimetry. A new molar enthalpy of vaporisation of 1,3-propanediol was derived from the vapour pressure temperature dependence measured by the transpiration method. Thermodynamic data on 1,3-propanediol available in the literature were collected, evaluated, and combined with own experimental results. This collection together with the new experimental results reported here has helped to resolve contradictions in the available enthalpies of formation data and to recommend the set of vaporisation and formation enthalpies for 1,3-propanediol at T = 298.15 K (in kJ mol 1): DfH m (g) = (410.6 +- 2.2), DfH m (l) = (481.8 +- 2.2), and Dg l H m = (71.2 +- 0.2) as the reliable benchmark properties for further thermochemical calculations. Quantum-chemical calculations of the gas phase molar enthalpy of formation of 1,3-propanediol have been performed using the G3MP2 method and results were in excellent agreement with the recommended experimental values. The standard molar entropy of formation and the standard molar Gibbs function of formation have been calculated.
Compounds
#
Formula
Name
1
CO2
carbon dioxide
2
H2O
water
3
O2
oxygen
4
C3H8O2
propan-1,3-diol
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
4
Vapor or sublimation pressure, kPa ; Liquid
Temperature, K; Liquid
Liquid
Gas
Transpiration method
7
RXND
4
1
2
3
Specific internal energy of reaction at constant volume, J/g