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

Thermodynamics of Sodium 5-Nitroisophthalic Acid Monohydrate

Wang, Z.-J.[Zhu-Jun], Chen, S.-P.[San-Ping], Yang, Q.[Qi], Gao, S.-L.[Sheng-Li]
J. Chem. Eng. Data 2010, 55, 7, 2558-2562
ABSTRACT
Low-temperature heat capacities of sodium 5-nitroisophthalic acid monohydrate (C8O6NH3Na2*H2O, s) were measured by a precision automated adiabatic calorimeter over the temperature range from (78 to 398) K. The experimental values of the molar heat capacities were fitted to a polynomial equation of heat capacities (Cp,m) with the reduced temperatures (X), [X = f(T)], by a least-squares method. The smoothed molar heat capacities and thermodynamic functions of the compound (C8O6NH3Na2*H2O, s) were calculated on the basis of the fitted polynomial. The constant volume energy of combustion of the compound at T = 298.15 K was measured by a precise rotating-bomb combustion calorimeter to be ?cU = -(3969.41 +- 1.74) kJ*mol-1. The standard molar enthalpy of combustion of the compound was determined to be ?cH?m = -(3965.07 +- 1.74) kJ*mol-1. The standard molar enthalpy of formation of the compound was calculated to be ?fH?m (C8O6NH3Na2*H2O, s) = -(408.45 +- 2.03) kJ*mol-1 in accordance with Hess s law. The standard molar enthalpy of solution of the compound, ?solH?m (C8O6NH3Na2*H2O, s), has been determined as (22.133 +- 0.111) kJ*mol-1. The standard molar enthalpy of the hydrated anion of the compound was determined as ?fH?m (C8O6NH32-, aq) = (380.11 +- 2.04) kJ*mol-1, from the standard molar enthalpy of solution and other auxiliary thermodynamic data through a thermochemical cycle. The thermostability of the compound was investigated by thermogravimetric/differential thermogravimetric/differential scanning calorimetry (TG-DTG-DSC).
Compounds
# Formula Name
1 Na2O2 sodium peroxide
2 CO2 carbon dioxide
3 N2 nitrogen
4 H2O water
5 O2 oxygen
6 C8H5NNa2O7 sodium 5-nitroisophthalate monohydrate
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
  • 6
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • Vacuum adiabatic calorimetry
  • 120
  • POMD
  • 6
  • 4
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 6; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Calvet calorimetry
  • 1
  • RXND
  • 6
  • 1
  • 2
  • 3
  • 4
  • 5
  • Molar enthalpy of reaction, kJ/mol
  • Rotating bomb calorimetry
  • 1