Chemical Properties of Benzyl 2-chloroethyl sulfone (CAS 66998-67-2)

Benzyl 2-chloroethyl sulfone

InChI
InChI=1S/C9H11ClO2S/c10-6-7-13(11,12)8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChI Key
CKNUUVURUUCDGT-UHFFFAOYSA-N
Formula
C9H11ClO2S
SMILES
O=S(=O)(CCCl)Cc1ccccc1
Molecular Weight1
218.70
CAS
66998-67-2
Other Names
  • Benzene, [[(2-chloroethyl)sulfonyl]methyl]-
  • [[(2-chloroethyl)sulphonyl]methyl]benzene
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Physical Properties

Property Value Unit Source
ΔfH°gas -314.60 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 28.68 kJ/mol Joback Calculated Property
ΔvapH° 96.97 kJ/mol Relay (1.0) Calculated Property
IE 9.21 eV Relay (1.0) Calculated Property
log10WS -2.24 Relay (1.0) Calculated Property
logPoct/wat 1.840 Crippen Calculated Property
McVol 154.240 ml/mol McGowan Calculated Property
Tboil 611.60 K Relay (1.0) Calculated Property
Tfus 372.03 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 [198.57; 442.62] 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 A6.93300e+00
Coefficient B8.20290e-01
Coefficient C-4.51800e-04
Coefficient D6.72000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 198.57 J/mol×K 273.00 Calculated Property
Cp,gas 243.56 J/mol×K 353.78 Calculated Property
Cp,gas 283.59 J/mol×K 434.56 Calculated Property
Cp,gas 318.87 J/mol×K 515.33 Calculated Property
Cp,gas 349.61 J/mol×K 596.11 Calculated Property
Cp,gas 376.01 J/mol×K 676.89 Calculated Property
Cp,gas 398.31 J/mol×K 757.67 Calculated Property
Cp,gas 416.70 J/mol×K 838.44 Calculated Property
Cp,gas 431.40 J/mol×K 919.22 Calculated Property
Cp,gas 442.62 J/mol×K 1000.00 Calculated Property

Similar Compounds

2-Chloroethyl benzyl sulfide. Benzyl sulfone. Benzene, [(methylsulfonyl)methyl]-. 2,6-Diphenyltetrahydrothiopyran-4-one s,s-dioxide. Ethiofencarb. Benzene, [(ethylthio)methyl]-. Benzene, 1,1'-[sulfonylbis(methylene)]bis[4-chloro-. Epigallocatechin (6TMS). CANNABINOL, O-TRIMETHYLSILYL-. cannabinolic acid, TMS. cis-Catechin, pentakis-TMS. 2H-1-Benzopyran, 3,4-dihydro-2-[3,4-bis[(trimethylsilyl)oxy]phenyl]-3,5,7-tris[(trimethylsilyl)oxy]-, (2R-trans)-. Catechin, penta-TMS. Silane, [[2-[3,4-bis[(trimethylsilyl)oxy]phenyl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triyl]tris(oxy)]tris[trimethyl-, (2R-cis)-. 2-Acetyl-1,2,3,4,9,13b-hexahydro-2,4a-diaza-tribenzo[a,c,E]cycloheptene.

Find more compounds similar to Benzyl 2-chloroethyl sulfone.

Sources

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