Chemical Properties of Bis(4-nitrophenyl)disulfide (CAS 100-32-3)

Bis(4-nitrophenyl)disulfide

InChI
InChI=1S/C12H8N2O4S2/c15-13(16)9-1-5-11(6-2-9)19-20-12-7-3-10(4-8-12)14(17)18/h1-8H
InChI Key
KWGZRLZJBLEVFZ-UHFFFAOYSA-N
Formula
C12H8N2O4S2
SMILES
O=[N+]([O-])c1ccc(SSc2ccc([N+](=O)[O-])cc2)cc1
Molecular Weight1
308.33
CAS
100-32-3
Other Names
  • 4-Nitrophenyl disulfide
  • 4,4'-Dinitrodiphenyl disulfide
  • Disulfide, bis(4-nitrophenyl)
  • p-Nitrophenyl disulfide
  • p,p'-Dinitrodiphenyl disulfide
  • Bis(p-nitrophenyl) disulfide
  • Di(p-nitrophenyl) disulfide
  • Di-4-nitrophenyl disulfide
  • Disulfide, bis(p-nitrophenyl)
  • NSC 677446
  • 1-Nitro-4-[(4-nitrophenyl)disulfanyl]benzene
  • NSC 4566
  • bis(4-nitrophenyl) disulphide
  • Di-4-nitrophenyl sulfide
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Physical Properties

Property Value Unit Source
ΔfH°gas 178.94 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 45.12 kJ/mol Joback Calculated Property
ΔvapH° 119.60 kJ/mol Relay (1.0) Calculated Property
IE 8.98 eV NIST
log10WS -5.43 Relay (1.0) Calculated Property
logPoct/wat 4.302 Crippen Calculated Property
McVol 199.960 ml/mol McGowan Calculated Property
Tboil 654.36 K Relay (1.0) Calculated Property
Tfus 414.85 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 [245.98; 540.93] 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 A2.95000e+00
Coefficient B1.05450e+00
Coefficient C-6.33720e-04
Coefficient D1.17200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 245.98 J/mol×K 273.00 Calculated Property
Cp,gas 301.88 J/mol×K 353.78 Calculated Property
Cp,gas 351.14 J/mol×K 434.56 Calculated Property
Cp,gas 394.11 J/mol×K 515.33 Calculated Property
Cp,gas 431.18 J/mol×K 596.11 Calculated Property
Cp,gas 462.72 J/mol×K 676.89 Calculated Property
Cp,gas 489.09 J/mol×K 757.67 Calculated Property
Cp,gas 510.67 J/mol×K 838.44 Calculated Property
Cp,gas 527.83 J/mol×K 919.22 Calculated Property
Cp,gas 540.93 J/mol×K 1000.00 Calculated Property

Similar Compounds

Benzenethiol, 4-nitro-. BIS(P-NITROPHENYL) SULFIDE. Benzene, 1-nitro-4-(phenylthio)-. METHYL 4-NITROPHENYL SULPHIDE. Disulfide, bis(2-nitrophenyl). p-Nitrobenzenesulfonyl chloride. 4-Chloro-4'-nitrodiphenyl sulfide. 4,4'-Diaminodiphenyl disulphide. 4-Nitrodiphenylsulfone. 4-Chloro-1-[(4-chloro-2-nitrophenyl)disulfanyl]-2-nitrobenzene. Benzene, 1-(methylsulfonyl)-4-nitro-. 4-nitrobenzenesulfonamide. Benzenesulfonamide, 4-nitro-. Benzene, 1,4-dinitro-. Benzene, nitro-.

Find more compounds similar to Bis(4-nitrophenyl)disulfide.

Sources

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