Chemical Properties of Disulfide, bis(2-nitrophenyl) (CAS 1155-00-6)

InChI

InChI=1S/C12H8N2O4S2/c15-13(16)9-5-1-3-7-11(9)19-20-12-8-4-2-6-10(12)14(17)18/h1-8H

InChI Key

NXCKJENHTITELM-UHFFFAOYSA-N

Formula

C12H8N2O4S2

SMILES

O=[N+]([O-])c1ccccc1SSc1ccccc1[N+](=O)[O-]

Molecular Weight¹

308.33

CAS

1155-00-6

Other Names

• Disulfide, bis(o-nitrophenyl)
• O,O'-Dinitrodiphenyl disulfide
• Bis(o-nitrophenyl) disulfide
• Bis(2-nitrophenyl) disulfide
• 2,2'-Dinitrodiphenyl disulfide
• 2-Nitrophenyl disulfide
• o-Nitrophenyl disulfide
• NSC 203
• bis(2-nitrophenyl) disulphide

• 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[245.98; 540.93]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.95000e+00
Coefficient B			1.05450e+00
Coefficient C			-6.33720e-04
Coefficient D			1.17200e-07
Coefficient E			0.00000e+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

Find more compounds similar to Disulfide, bis(2-nitrophenyl).

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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