Chemical Properties of 1,1'-Biphenyl, 4,4'-dinitro-

1,1'-Biphenyl, 4,4'-dinitro-

InChI
InChI=1S/C12H8N2O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8H
InChI Key
BDLNCFCZHNKBGI-UHFFFAOYSA-N
Formula
C12H8N2O4
SMILES
O=[N+]([O-])c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1
Molecular Weight1
244.21
Other Names
  • Biphenyl, 4,4'-dinitro-
  • 4,4'-Dinitrobiphenyl
  • 4,4'-Dinitrodiphenyl
  • 4,4'-Dinitrobifenyl
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Physical Properties

Property Value Unit Source
ΔfH°gas 158.04 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 36.86 kJ/mol Joback Calculated Property
ΔvapH° 110.55 kJ/mol Relay (1.0) Calculated Property
IE 9.30 eV Relay (1.0) Calculated Property
log10WS -4.77 Relay (1.0) Calculated Property
logPoct/wat 3.170 Crippen Calculated Property
McVol 167.260 ml/mol McGowan Calculated Property
Tboil 621.29 K Relay (1.0) Calculated Property
Tfus 456.04 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔsubH 104.60 ± 1.80 kJ/mol 434.50 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [204.98; 487.75] 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 A-3.62500e+01
Coefficient B1.06572e+00
Coefficient C-7.14120e-04
Coefficient D1.72400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 204.98 J/mol×K 273.00 Calculated Property
Cp,gas 259.03 J/mol×K 353.78 Calculated Property
Cp,gas 306.16 J/mol×K 434.56 Calculated Property
Cp,gas 346.90 J/mol×K 515.33 Calculated Property
Cp,gas 381.80 J/mol×K 596.11 Calculated Property
Cp,gas 411.40 J/mol×K 676.89 Calculated Property
Cp,gas 436.25 J/mol×K 757.67 Calculated Property
Cp,gas 456.89 J/mol×K 838.44 Calculated Property
Cp,gas 473.88 J/mol×K 919.22 Calculated Property
Cp,gas 487.75 J/mol×K 1000.00 Calculated Property

Similar Compounds

1,1'-Biphenyl, 4-nitro-. 1,1':4',1''-Terphenyl, 4-nitro-. Benzenamine, 4-(4-nitrophenyl)-. 4-Hydroxy-4'-nitrobiphenyl. 1,1'-Biphenyl, 3-nitro-. 1,1'-Biphenyl, 2-nitro-. 1,1'-Biphenyl, 2,2'-dinitro-. 4,4'-Biphenyldiisocyanate. Benzidine. [1,1'-Biphenyl]-4-amine. Diazene, [1,1'-biphenyl]-4-ylphenyl-. 4,4'-Diamino-p-terphenyl. 4-Amino-3-nitro biphenyl. Fluoranthene, 8-nitro-. [1,1'-Biphenyl]-4,4'-diamine, N,N,N',N'-tetramethyl-.

Find more compounds similar to 1,1'-Biphenyl, 4,4'-dinitro-.

Sources

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