Chemical Properties of 2-Isopropylphenyl isothiocyanate (CAS 36176-31-5)

2-Isopropylphenyl isothiocyanate

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InChI
InChI=1S/C10H11NS/c1-8(2)9-5-3-4-6-10(9)11-7-12/h3-6,8H,1-2H3
InChI Key
QQOOMDSEMQHMIR-UHFFFAOYSA-N
Formula
C10H11NS
SMILES
CC(C)c1ccccc1N=C=S
Molecular Weight1
177.27
CAS
36176-31-5
Sources

Physical Properties

Property Value Unit Source
Δfgas 254.12 kJ/mol Joback Calculated Property
Δvap 50.84 kJ/mol Joback Calculated Property
logPoct/wat 3.54 Crippen Calculated Property
Pc 2979.54 kPa Joback Calculated Property
Tboil 605.37 K Joback Calculated Property
Tc 860.42 K Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
=C= 1
-N= 1
=CH- (ring) 4
=C< (ring) 2
-S- 1
-CH3 2

Similar Compounds

2-Ethyl-6-isopropylphenyl isothiocyanate. 2,6-Diisopropylphenyl isothiocyanate. 2-Ethyl-6-methylphenyl isothiocyanate. 2-Ethyl-6-(1-methylpropyl)phenyl isothiocyanate. 2,6-Diethylphenyl isothiocyanate. 2-Tert-butyl-6-methylphenyl isocyanate. Benzene, 1-isothiocyanato-2-methyl-. Benzenamine, 2-(1-methylethyl)-. Acetanilide, 2-tert-butyl-. Benzenamine, 2-(1,1-dimethylethyl)-. 2,5-Dimethylphenyl isothiocyanate. 2,6-Dimethylphenyl isothiocyanate. Acetanilide, 2,6-diisopropyl-. 2,3-Dimethylphenylisothiocyanate. 2,4-Dimethylphenyl isothiocyanate.

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