Chemical Properties of 4-Isopropylphenyl isothiocyanate (CAS 89007-45-4)

4-Isopropylphenyl isothiocyanate

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InChI
InChI=1S/C10H11NS/c1-8(2)9-3-5-10(6-4-9)11-7-12/h3-6,8H,1-2H3
InChI Key
SNWJJTIJIDXIHL-UHFFFAOYSA-N
Formula
C10H11NS
SMILES
CC(C)c1ccc(N=C=S)cc1
Molecular Weight1
177.27
CAS
89007-45-4
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

4-t-Butylphenyl isothiocyanate. 4-Ethylphenyl isothiocyanate. 4-Butylphenyl isothiocyanate. Benzene, 1-isothiocyanato-4-methyl-. 4-Isopropylaniline. 4-Decylphenyl isothiocyanate. 4-Acetylphenylisothiocyanate. 4-Ethylphenyl isocyanate. 4-Tert-butylbenzeneamine. 1-Isothiocyanato-4-(trans-4-propyl-cyclohexyl)benzene. N-Methyl-p-cumidine. P-vinylphenyl isothiocyanate. Aniline, p-tert-butyl-n-methyl-. 3-Ethylphenyl isothiocyanate. 4-sec-Butylaniline.

Find more compounds similar to 4-Isopropylphenyl isothiocyanate.

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