Chemical Properties of Sulphenone (CAS 80-00-2)

InChI

InChI=1S/C12H9ClO2S/c13-10-6-8-12(9-7-10)16(14,15)11-4-2-1-3-5-11/h1-9H

InChI Key

OFCFYWOKHPOXKF-UHFFFAOYSA-N

Formula

C12H9ClO2S

SMILES

O=S(=O)(c1ccccc1)c1ccc(Cl)cc1

Molecular Weight¹

252.72

CAS

80-00-2

Other Names

• Benzene, 1-chloro-4-(phenylsulfonyl)-
• Sulfone, p-chlorophenyl phenyl
• p-Chlorophenyl phenyl sulfone
• R 242
• Sulfenon
• 4-Chlorodiphenyl sulfone
• 4-Chlorophenyl phenyl sulfone
• p-Monochlorophenyl phenyl sulfone
• R-242-B
• Compound R-242
• ENT 17,941
• Sulfenone
• Trifenson
• 4-Chlordifenylsulfon
• 4-Chlorodiphenyl sulphone
• p-Chlorophenyl phenyl sulphone
• 1-Chloro-4-(phenylsulfonyl)benzene
• NSC 404335

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[385.19; 453.69]	J/mol×K	[617.51; 860.39]
Cp,gas	385.19	J/mol×K	617.51	Joback Calculated Property
Cp,gas	399.54	J/mol×K	657.99	Joback Calculated Property
Cp,gas	412.66	J/mol×K	698.47	Joback Calculated Property
Cp,gas	424.60	J/mol×K	738.95	Joback Calculated Property
Cp,gas	435.39	J/mol×K	779.43	Joback Calculated Property
Cp,gas	445.07	J/mol×K	819.91	Joback Calculated Property
Cp,gas	453.69	J/mol×K	860.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sulphenone.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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