Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Synthesis, crystal structure and thermodynamic properties of 3-(3,5-dimethylpyrazol-1-yl)-6-(benzylmethylene) hydrazone-s-tetrazine

Yao, Y.-R.[Yan-Ru], Chen, X.[Xiang], Hu, Y.-P.[Yong-Peng], Yan, B. [Biao], Guan, Y.-L.[Yu-Lei], Song, J.-R.[Ji-Rong], Ma, H.-X.[Hai-Xia]
J. Chem. Thermodyn. 2017, 104, 67-72
ABSTRACT
3-(3,5-Dimethylpyrazol-1-yl)-6-(benzylmethylene) hydrazone-s-tetrazine (DAHBTz) was synthesized and characterized by single crystal X-ray diffraction (XRD). The crystal structure shows that DAHBTz crystallizes in triclinic, space group P-1. The thermal behaviour was studied under non-isothermal condition by DSC method. The specific molar heat capacity (Cp,m) of DAHBTz was determined by a continuous Cp mode of Micro-DSC III and theoretical calculation, and the Cp,m of DAHBTz was 345.68 J K 1 mol 1 at T = 298.15 K.
Compounds
# Formula Name
1 C14H14N8 3-(2-benzylidenehydrazinyl)-6-(3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetrazine
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 ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • X-ray diffraction
  • 1
  • POMD
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • DSC
  • 15