Chemical Properties of 4-Butylphenyl isothiocyanate (CAS 23165-44-8)

4-Butylphenyl isothiocyanate

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InChI
InChI=1S/C11H13NS/c1-2-3-4-10-5-7-11(8-6-10)12-9-13/h5-8H,2-4H2,1H3
InChI Key
PXVPXJHMTUKENZ-UHFFFAOYSA-N
Formula
C11H13NS
SMILES
CCCCc1ccc(N=C=S)cc1
Molecular Weight1
191.29
CAS
23165-44-8
Sources

Physical Properties

Property Value Unit Source
Δfgas 238.76 kJ/mol Joback Calculated Property
Δvap 53.46 kJ/mol Joback Calculated Property
logPoct/wat 3.76 Crippen Calculated Property
Pc 2668.02 kPa Joback Calculated Property
Tboil 628.69 K Joback Calculated Property
Tc 872.55 K Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C= 1
-N= 1
=CH- (ring) 4
-S- 1
=C< (ring) 2
-CH2- 3
-CH3 1

Similar Compounds

4-Decylphenyl isothiocyanate. 4-Ethylphenyl isothiocyanate. 4-Isopropylphenyl isothiocyanate. Benzenamine, 4-butyl-. 4-t-Butylphenyl isothiocyanate. 4-PENTYLANILINE. 4-N-Hexylaniline. p-Heptylaniline. P-tetradecylaniline. 4-(n-C8H17)C6H4NH2. 4-Decylaniline. p-Nonylaniline. P-dodecylaniline. 1-Isothiocyanato-4-(trans-4-propyl-cyclohexyl)benzene. Benzene, 1-isothiocyanato-4-methyl-.

Find more compounds similar to 4-Butylphenyl isothiocyanate.

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