Chemical Properties of Sulfide, isopropyl phenyl (CAS 3019-20-3)

Sulfide, isopropyl phenyl

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InChI
InChI=1S/C9H12S/c1-8(2)10-9-6-4-3-5-7-9/h3-8H,1-2H3
InChI Key
SNOAHAUUBQMVGW-UHFFFAOYSA-N
Formula
C9H12S
SMILES
CC(C)Sc1ccccc1
Molecular Weight1
152.26
CAS
3019-20-3
Other Names
  • (Isopropylthio)benzene
  • Benzene, [(1-methylethyl)thio]-
  • Isopropyl phenyl sulfide
  • Phenyl isopropyl sulfide
Sources

Physical Properties

Property Value Unit Source
Δf 167.99 kJ/mol Joback Calculated Property
Δfgas 44.03 kJ/mol Joback Calculated Property
Δfus 13.71 kJ/mol Joback Calculated Property
Δvap 44.33 kJ/mol Joback Calculated Property
IE 7.90 eV NIST
IE 8.46 eV NIST
logPoct/wat 3.19 Crippen Calculated Property
Pc 3356.75 kPa Joback Calculated Property
Tboil 500.34 K Joback Calculated Property
Tc 736.46 K Joback Calculated Property
Tfus 237.01 K Joback Calculated Property
Vc 0.48 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 265.63 J/mol×K 500.34 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Benzene, [(1,1-dimethylethyl)thio]-. Benzene, (ethylthio)-. Cyclopropyl phenyl sulphide. Benzene, [(1-methylpropyl)thio]-. Benzene, (propylthio)-. 2-(Phenylthio)ethanol. Phenyl propargyl sulfide. Allylphenyl sulfide. Benzene, [(2-methylpropyl)thio]-. Benzene, 1-methyl-4-[(1-methylethyl)thio]-. Butylthiobenzene. 1,2-Bis(phenylthio)ethane. trans-1-(Phenylthio)-2-butene. Benzene, (2-butenylthio)-, (Z)-. Benzene, (methylthio)-.

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