Chemical Properties of 2-Methylbenzyl isothiocyanate (CAS 16735-69-6)

2-Methylbenzyl isothiocyanate

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InChI
InChI=1S/C9H9NS/c1-8-4-2-3-5-9(8)6-10-7-11/h2-5H,6H2,1H3
InChI Key
DOOUOZZRRNTUCQ-UHFFFAOYSA-N
Formula
C9H9NS
SMILES
Cc1ccccc1CN=C=S
Molecular Weight1
163.24
CAS
16735-69-6
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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

3,4-Dimethylbenzyl isothiocyanate. 3-Methylbenzyl isothiocyanate. Benzenemethanamine, 2-methyl-. 2-Methylbenzoyl isothiocyanate. Benzene, (isothiocyanatomethyl)-. 2,4-Dimethylbenzenemethanamine. 2,5-Dimethylbenzylamine. p-Methylbenzyl isothiocyanate. m-Xylylene diisocyanate. Isothiocyanic acid, m-chlorobenzyl ester. Benzenemethanamine, 3,4-dimethyl-. Benzyl isocyanate. 1H-Isoindole, 2,3-dihydro-. Benzylamine,2, n-dimethyl-n-2-propynyl-. Benzene, 1-chloro-4-(isothiocyanatomethyl)-.

Find more compounds similar to 2-Methylbenzyl isothiocyanate.

Sources

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