Chemical Properties of Benzene, [(1,1-dimethylethyl)thio]- (CAS 3019-19-0)

Benzene, [(1,1-dimethylethyl)thio]-

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InChI
InChI=1S/C10H14S/c1-10(2,3)11-9-7-5-4-6-8-9/h4-8H,1-3H3
InChI Key
VEUCZKAZCRSEMP-UHFFFAOYSA-N
Formula
C10H14S
SMILES
CC(C)(C)Sc1ccccc1
Molecular Weight1
166.28
CAS
3019-19-0
Other Names
  • Phenyl tert-butyl sulfide
  • Sulfide, tert-butyl phenyl
  • tert-Butyl Phenyl sulfide
Sources

Physical Properties

Property Value Unit Source
Δf 181.69 kJ/mol Joback Calculated Property
Δfgas 19.92 kJ/mol Joback Calculated Property
Δfus 12.41 kJ/mol Joback Calculated Property
Δvap 45.65 kJ/mol Joback Calculated Property
IE 8.20 ± 0.10 eV NIST
IE 8.38 ± 0.05 eV NIST
IE 8.40 eV NIST
logPoct/wat 3.577 Crippen Calculated Property
Pc 3049.04 kPa Joback Calculated Property
Tboil 520.43 K Joback Calculated Property
Tc 762.39 K Joback Calculated Property
Tfus 265.70 K Joback Calculated Property
Vc 0.530 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 312.97 J/mol×K 520.43 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 1
-S- 1
-CH3 3
>C< 1
=CH- (ring) 5

Similar Compounds

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

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