Chemical Properties of Benzene, (propylthio)- (CAS 874-79-3)

Benzene, (propylthio)-

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InChI
InChI=1S/C9H12S/c1-2-8-10-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChI Key
NWYDLOBJQIJDGH-UHFFFAOYSA-N
Formula
C9H12S
SMILES
CCCSc1ccccc1
Molecular Weight1
152.26
CAS
874-79-3
Other Names
  • (1-Thiabutyl)benzene
  • (Propylthio)benzene
  • Fenyl-propylsulfid
  • NSC 115079
  • Phenyl propyl sulfide
  • Propyl phenyl sulfide
  • Sulfide, phenyl propyl
  • n-Propyl phenyl sulfide
Sources

Physical Properties

Property Value Unit Source
Δf 170.43 kJ/mol Joback Calculated Property
Δfgas 49.31 kJ/mol Joback Calculated Property
Δfus 17.24 kJ/mol Joback Calculated Property
Δvap 44.72 kJ/mol Joback Calculated Property
IE 7.81 ± 0.03 eV NIST
logPoct/wat 3.19 Crippen Calculated Property
Pc 3325.84 kPa Joback Calculated Property
Tboil 492.70 K NIST
Tboil 491.00 ± 6.00 K NIST
Tc 731.34 K Joback Calculated Property
Tfus 252.01 K Joback Calculated Property
Vc 0.49 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 265.38 J/mol×K 500.78 Joback Calculated Property
ΔvapH 44.30 kJ/mol 488.0 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 1
-CH2- 2
-CH3 1
-S- 1
=CH- (ring) 5

Similar Compounds

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

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