Chemical Properties of Dipicrylamine (CAS 131-73-7)

Dipicrylamine

InChI
InChI=1S/C12H5N7O12/c20-14(21)5-1-7(16(24)25)11(8(2-5)17(26)27)13-12-9(18(28)29)3-6(15(22)23)4-10(12)19(30)31/h1-4,13H
InChI Key
CBCIHIVRDWLAME-UHFFFAOYSA-N
Formula
C12H5N7O12
SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1
Molecular Weight1
439.21
CAS
131-73-7
Other Names
  • Hexanitrodiphenylamine
  • 2,2',4,4',6,6'-Hexanitrodiphenylamine
  • Benzenamine, 2,4,6-trinitro-N-(2,4,6-trinitrophenyl)-
  • Bis(2,4,6-trinitrophenyl)amine
  • Hexyl
  • Bis(2,4,6-trinitro-phenyl)-amin
  • Diphenylamine, hexanitro-
  • Diphenylamine, 2,2',4,4',6,6'-hexanitro-
  • Esanitrodifenilamina
  • Hexamine
  • Hexamine (potassium reagent)
  • Hexanitrodifenylamine
  • Hexyl (reagent)
  • 2,4,6-Trinitro-N-(2,4,6-trinitrophenyl)benzenamine
  • 2,4,6,2',4',6'-Hexanitrodiphenylamine
  • Aurantia
  • C.I. 10360
  • Dipikrylamin
  • 2,2',4,4',6,6'-Hexanitrodifenylamin
  • Hexil
  • Hexite
  • NSC 1786
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Physical Properties

Property Value Unit Source
ΔcH°solid [-5512.96; -5481.29] kJ/mol Show Hide
ΔcH°solid -5481.29 kJ/mol NIST
ΔcH°solid -5512.96 kJ/mol NIST
ΔfH°gas 221.28 kJ/mol Relay (1.0) Calculated Property
ΔfH°solid [44.56; 76.27] kJ/mol Show Hide
ΔfH°solid 44.56 kJ/mol NIST
ΔfH°solid 76.27 kJ/mol NIST
ΔfusH° 85.85 kJ/mol Joback Calculated Property
ΔvapH° 131.60 kJ/mol Relay (1.0) Calculated Property
IE 9.67 eV Relay (1.0) Calculated Property
log10WS -5.32 Relay (1.0) Calculated Property
logPoct/wat 2.879 Crippen Calculated Property
McVol 246.920 ml/mol McGowan Calculated Property
Tboil 647.21 K Relay (1.0) Calculated Property
Tfus 509.35 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [340.05; 697.40] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A4.17000e+01
Coefficient B1.30136e+00
Coefficient C-8.08160e-04
Coefficient D1.62500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 340.05 J/mol×K 273.00 Calculated Property
Cp,gas 408.14 J/mol×K 353.78 Calculated Property
Cp,gas 467.94 J/mol×K 434.56 Calculated Property
Cp,gas 519.95 J/mol×K 515.33 Calculated Property
Cp,gas 564.70 J/mol×K 596.11 Calculated Property
Cp,gas 602.69 J/mol×K 676.89 Calculated Property
Cp,gas 634.44 J/mol×K 757.67 Calculated Property
Cp,gas 660.47 J/mol×K 838.44 Calculated Property
Cp,gas 681.28 J/mol×K 919.22 Calculated Property
Cp,gas 697.40 J/mol×K 1000.00 Calculated Property

Similar Compounds

2,4-dinitrodiphenylamine. Benzenamine, 2,4-dinitro-N-phenyl-. Benzenamine, 2-nitro-N-(4-nitrophenyl)-. Phenol, 4-[(2,4-dinitrophenyl)amino]-. Benzenamine, 2,4,6-trinitro-. Benzenamine, 2-nitro-N-phenyl-. 3-Picrylamino-1,2,4-triazole. 2,4,6-Trinitro-N-methyl-aniline. 2,4,6-Trinitrophenyl-hydrazine. 1,3-Diamino-2,4,6-trinitrobenzene. 2,4,6-TRINITRO-M-PHENYLENEDIAMINE. N-(4-CHLORO-2-NITROPHENYL)ANILINE. 1,3-Dinitrophenoxazine. 1,3,7,9-Tetranitrophenothiazine,5-oxide. Hydrazine, 1,1-diphenyl-2-(2,4,6-trinitrophenyl)-.

Find more compounds similar to Dipicrylamine.

Sources

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