Chemical Properties of (Phenylsulfonyl)acetonitrile (CAS 7605-28-9)

(Phenylsulfonyl)acetonitrile

InChI
InChI=1S/C8H7NO2S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5H,7H2
InChI Key
ZFCFFNGBCVAUDE-UHFFFAOYSA-N
Formula
C8H7NO2S
SMILES
N#CCS(=O)(=O)c1ccccc1
Molecular Weight1
181.21
CAS
7605-28-9
Other Names
  • Acetonitrile, (phenylsulfonyl)-
  • Acetonitrile, 2-phenylsulfonyl-
  • Benzenesulfonyl-acetonitrile
  • Phenylsulphonylacetonitrile
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Physical Properties

Property Value Unit Source
ω 0.5328 Relay (1.0) Calculated Property
Δf -206.47 kJ/mol Joback Calculated Property
Δfgas -81.88 kJ/mol Relay (1.0) Calculated Property
Δfus 23.40 kJ/mol Joback Calculated Property
Δvap 91.53 kJ/mol Relay (1.0) Calculated Property
IE 9.75 eV Relay (1.0) Calculated Property
log10WS -2.08 Relay (1.0) Calculated Property
logPoct/wat 0.984 Crippen Calculated Property
McVol 129.290 ml/mol McGowan Calculated Property
Pc 4299.92 kPa Joback Calculated Property
Tboil 608.34 K Relay (1.0) Calculated Property
Tc 852.13 K Relay (1.0) Calculated Property
Tfus 435.09 K Relay (1.0) Calculated Property
Vc 0.442 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [276.00; 330.21] J/mol×K [558.98; 781.18] Show Hide
Cp,gas 276.00 J/mol×K 558.98 Joback Calculated Property
Cp,gas 286.88 J/mol×K 596.01 Joback Calculated Property
Cp,gas 297.00 J/mol×K 633.05 Joback Calculated Property
Cp,gas 306.39 J/mol×K 670.08 Joback Calculated Property
Cp,gas 315.04 J/mol×K 707.12 Joback Calculated Property
Cp,gas 322.98 J/mol×K 744.15 Joback Calculated Property
Cp,gas 330.21 J/mol×K 781.18 Joback Calculated Property

Similar Compounds

Phenyl propargyl sulfone. Benzene, (ethylsulfonyl)-. p-Toluenesulfonylacetonitrile. Phenyl sulfonyl acetone. Sulfone, methyl phenyl. Allylphenyl sulfone. 1,2-Bis(phenylsulfonyl)ethane. Benzene, (propylsulfonyl)-. 1-Methyl-4-(2-propynyl-sulphonyl)benzene. 4-Chlorophenylsulfonylacetone. Bis(phenylsulfonyl)methane. Benzene, 1-fluoro-4-(methylsulfonyl)-. 2-Propanone, 1-[(4-methylphenyl)sulfonyl]-. Benzene, (methylsulfinyl)-. Benzonitrile, 4-(methylsulfonyl)-.

Find more compounds similar to (Phenylsulfonyl)acetonitrile.

Sources

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