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

Sulphenone

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
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Physical Properties

Property Value Unit Source
ω 0.5123 Relay (1.0) Calculated Property
ΔfG° -215.12 kJ/mol Joback Calculated Property
ΔfH°gas -149.66 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 30.10 kJ/mol Joback Calculated Property
ΔvapH° 110.26 kJ/mol Relay (1.0) Calculated Property
IE 9.04 eV Relay (1.0) Calculated Property
log10WS -4.32 Relay (1.0) Calculated Property
logPoct/wat 3.173 Crippen Calculated Property
McVol 172.750 ml/mol McGowan Calculated Property
Pc 3881.95 kPa Joback Calculated Property
Tboil 638.25 K Relay (1.0) Calculated Property
Tc 896.69 K Relay (1.0) Calculated Property
Tfus 398.95 K Relay (1.0) Calculated Property
Vc 0.599 m3/kmol Relay (1.0) Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [207.50; 475.83] 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-1.54000e+01
Coefficient B9.66890e-01
Coefficient C-5.79160e-04
Coefficient D1.03500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 207.50 J/mol×K 273.00 Calculated Property
Cp,gas 258.76 J/mol×K 353.78 Calculated Property
Cp,gas 303.89 J/mol×K 434.56 Calculated Property
Cp,gas 343.23 J/mol×K 515.33 Calculated Property
Cp,gas 377.09 J/mol×K 596.11 Calculated Property
Cp,gas 405.82 J/mol×K 676.89 Calculated Property
Cp,gas 429.73 J/mol×K 757.67 Calculated Property
Cp,gas 449.15 J/mol×K 838.44 Calculated Property
Cp,gas 464.40 J/mol×K 919.22 Calculated Property
Cp,gas 475.83 J/mol×K 1000.00 Calculated Property

Similar Compounds

Benzene, 1,1'-sulfonylbis[4-chloro-. Benzene, 1,1'-sulfinylbis[4-chloro-. Diphenyl sulfone. 4-(4-chlorophenyl)sulfonylaniline. Benzene, 1-fluoro-4-(phenylsulfonyl)-. Diphenyl sulfoxide. Diphenylsulfone, 4-chloro-4'-methyl-. Benzene, 1,2,4-trichloro-5-[(4-chlorophenyl)sulfonyl]-. BENZENE, 1,1'-SULFONYLBIS[4-BROMO-. Sulfone, bis(p-fluorophenyl). Benzoic acid, 4-[(4-chlorophenyl)sulfonyl]-. bisphenol S. 4,4'-DICHLORODIPHENYLSULPHIDE. Benzene, 1-methyl-4-(phenylsulfonyl)-. Benzene, 1,2,4-trichloro-5-[(4-chlorophenyl)sulfinyl]-.

Find more compounds similar to Sulphenone.

Sources

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