Chemical Properties of 2-Tert-butyl-6-methylphenyl isocyanate (CAS 13680-30-3)

2-Tert-butyl-6-methylphenyl isocyanate

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InChI
InChI=1S/C12H15NO/c1-9-6-5-7-10(12(2,3)4)11(9)13-8-14/h5-7H,1-4H3
InChI Key
VCHAHDOWZAYVEM-UHFFFAOYSA-N
Formula
C12H15NO
SMILES
Cc1cccc(C(C)(C)C)c1N=C=O
Molecular Weight1
189.25
CAS
13680-30-3
Sources

Physical Properties

Property Value Unit Source
Δfgas -91.58 kJ/mol Joback Calculated Property
Δvap 54.14 kJ/mol Joback Calculated Property
logPoct/wat 3.26 Crippen Calculated Property
Pc 2561.10 kPa Joback Calculated Property
Tboil 574.04 K Joback Calculated Property
Tc 796.15 K Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C= 1
-N= 1
=CH- (ring) 3
=C< (ring) 3
>C< 1
=O 1
-CH3 4

Similar Compounds

2,6-Diisopropylphenyl isothiocyanate. 2-Ethyl-6-isopropylphenyl isothiocyanate. 2-Methyl-6-t-butylaniline. Acetanilide, 6-tert-butyl-2,4-dimethyl-. 2-Ethyl-6-(1-methylpropyl)phenyl isothiocyanate. Aniline, 2,4-dimethyl-6-tert-butyl-. Acetanilide, 2,6-diisopropyl-. Aniline, 2,6-di-tert-butyl-4-methyl-. 2-Ethyl-6-methylphenyl isothiocyanate. Acetanilide, 2,6-di-isopropyl-4-tert-butyl-. Aniline, 2-methyl-4,6-di-tert-butyl-. Benzenamine, 2,4,6-tris(1,1-dimethylethyl)-. 2,6-Diethylphenyl isothiocyanate. 2-Isopropylphenyl isothiocyanate. Benzenamine, 2,6-bis(1-methylethyl)-.

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