Chemical Properties of 4-t-Butylphenyl isothiocyanate (CAS 19241-24-8)

4-t-Butylphenyl isothiocyanate

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InChI
InChI=1S/C11H13NS/c1-11(2,3)9-4-6-10(7-5-9)12-8-13/h4-7H,1-3H3
InChI Key
OCGNNCBNRBTUCG-UHFFFAOYSA-N
Formula
C11H13NS
SMILES
CC(C)(C)c1ccc(N=C=S)cc1
Molecular Weight1
191.29
CAS
19241-24-8
Sources

Physical Properties

Property Value Unit Source
Δfgas 230.01 kJ/mol Joback Calculated Property
Δvap 52.16 kJ/mol Joback Calculated Property
logPoct/wat 3.72 Crippen Calculated Property
Pc 2721.17 kPa Joback Calculated Property
Tboil 625.46 K Joback Calculated Property
Tc 885.27 K Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

4-Isopropylphenyl isothiocyanate. 4-Ethylphenyl isothiocyanate. 4-Tert-butylbenzeneamine. 4-Butylphenyl isothiocyanate. 4-Decylphenyl isothiocyanate. 4-Isopropylaniline. Benzene, 1-isothiocyanato-4-methyl-. 4-Acetylphenylisothiocyanate. 4-Ethylphenyl isocyanate. Aniline, p-tert-butyl-n-methyl-. 1-Isothiocyanato-4-(trans-4-propyl-cyclohexyl)benzene. 4-TERT-BUTYL-N,N-DIMETHYLANILINE. P-tert. amyl aniline. N-Methyl-p-cumidine. Aniline, 4-tert-butyl-n-ethyl-.

Find more compounds similar to 4-t-Butylphenyl isothiocyanate.

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