Chemical Properties of 2,6-Diisopropylphenyl isothiocyanate (CAS 25343-70-8)

2,6-Diisopropylphenyl isothiocyanate

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InChI
InChI=1S/C13H17NS/c1-9(2)11-6-5-7-12(10(3)4)13(11)14-8-15/h5-7,9-10H,1-4H3
InChI Key
HZGOUCYIYIFQHX-UHFFFAOYSA-N
Formula
C13H17NS
SMILES
CC(C)c1cccc(C(C)C)c1N=C=S
Molecular Weight1
219.35
CAS
25343-70-8
Sources

Physical Properties

Property Value Unit Source
Δfgas 175.45 kJ/mol Joback Calculated Property
Δvap 57.80 kJ/mol Joback Calculated Property
logPoct/wat 4.67 Crippen Calculated Property
Pc 2210.37 kPa Joback Calculated Property
Tboil 678.55 K Joback Calculated Property
Tc 923.04 K Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
=C= 1
-N= 1
=CH- (ring) 3
=C< (ring) 3
-S- 1
-CH3 4

Similar Compounds

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

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