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

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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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
Cp,gas	[537.85; 560.30]	J/mol×K	[978.72; 1296.23]
Cp,gas	537.85	J/mol×K	978.72	Joback Calculated Property
Cp,gas	545.04	J/mol×K	1031.64	Joback Calculated Property
Cp,gas	550.71	J/mol×K	1084.56	Joback Calculated Property
Cp,gas	554.96	J/mol×K	1137.47	Joback Calculated Property
Cp,gas	557.91	J/mol×K	1190.39	Joback Calculated Property
Cp,gas	559.65	J/mol×K	1243.31	Joback Calculated Property
Cp,gas	560.30	J/mol×K	1296.23	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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