Chemical Properties of p-Methylbenzyl isothiocyanate (CAS 3694-46-0)

p-Methylbenzyl isothiocyanate

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InChI
InChI=1S/C9H9NS/c1-8-2-4-9(5-3-8)6-10-7-11/h2-5H,6H2,1H3
InChI Key
OAXIUBJXQISJEV-UHFFFAOYSA-N
Formula
C9H9NS
SMILES
Cc1ccc(CN=C=S)cc1
Molecular Weight1
163.24
CAS
3694-46-0
Other Names
  • Benzene, 1-(isothiocyanatomethyl)-4-methyl-
  • Isothiocyanic acid, p-methylbenzyl ester
  • 4-Methylbenzyl isothiocyanate
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Physical Properties

Property Value Unit Source
Δfgas 280.04 kJ/mol Joback Calculated Property
Δvap 49.01 kJ/mol Joback Calculated Property
log10WS -3.18 Crippen Calculated Property
logPoct/wat 2.598 Crippen Calculated Property
McVol 131.640 ml/mol McGowan Calculated Property
Pc 3287.81 kPa Joback Calculated Property
Tboil 582.93 K Joback Calculated Property
Tc 837.99 K Joback Calculated Property

Similar Compounds

Benzene, (isothiocyanatomethyl)-. Benzene, 1-chloro-4-(isothiocyanatomethyl)-. Benzyl isocyanate. 3-Methylbenzyl isothiocyanate. 4-Fluorobenzyl isothiocyanate. 3,4-Dimethylbenzyl isothiocyanate. 4-Methylbenzoyl isothiocyanate. Benzenemethanamine, 4-methyl-. m-Xylylene diisocyanate. 2-Methylbenzyl isothiocyanate. p-Xylylenediamine. Isothiocyanic acid, m-chlorobenzyl ester. 4-Methoxybenzyl isothiocyanate. (p-methylbenzylidene)-benzyl-amine. Benzene, (isocyanomethyl)-.

Find more compounds similar to p-Methylbenzyl isothiocyanate.

Sources

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