Chemical Properties of Allylphenyl sulfide (CAS 5296-64-0)

Allylphenyl sulfide

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InChI
InChI=1S/C9H10S/c1-2-8-10-9-6-4-3-5-7-9/h2-7H,1,8H2
InChI Key
QGNRLAFFKKBSIM-UHFFFAOYSA-N
Formula
C9H10S
SMILES
C=CCSc1ccccc1
Molecular Weight1
150.24
CAS
5296-64-0
Other Names
  • (Allylthio)benzene
  • 3-(Phenylthio)prop-1-ene
  • 3-(Phenylthio)propene
  • Allyl phenyl thioether
  • Benzene, (2-propenylthio)-
  • Phenyl allyl sulfide
  • Phenyl allyl thioether
  • Sulfide, allyl phenyl
Sources

Physical Properties

Property Value Unit Source
Δf 258.27 kJ/mol Joback Calculated Property
Δfgas 174.74 kJ/mol Joback Calculated Property
Δfus 15.96 kJ/mol Joback Calculated Property
Δvap 44.05 kJ/mol Joback Calculated Property
IE 7.91 ± 0.01 eV NIST
logPoct/wat 2.965 Crippen Calculated Property
Pc 3493.01 kPa Joback Calculated Property
Tboil 497.46 K Joback Calculated Property
Tc 733.42 K Joback Calculated Property
Tfus 250.25 K Joback Calculated Property
Vc 0.467 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 247.62 J/mol×K 497.46 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=CH- (ring) 5
=CH2 1
-S- 1
=C< (ring) 1
-CH2- 1
=CH- 1

Similar Compounds

trans-1-(Phenylthio)-2-butene. Benzene, (2-butenylthio)-, (Z)-. Benzene, (ethylthio)-. Benzene, (propylthio)-. Sulfide, isopropyl phenyl. 2-(Phenylthio)ethanol. Phenyl propargyl sulfide. 1,2-Bis(phenylthio)ethane. Benzene, [(2-methylpropyl)thio]-. Butylthiobenzene. Benzene, [(1,1-dimethylethyl)thio]-. Benzene, (methylthio)-. Benzene, [(1-methylpropyl)thio]-. Ethanethioic acid, s-phenyl ester. Cyclopropyl phenyl sulphide.

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