Chemical Properties of 4-Methylbenzoyl isothiocyanate (CAS 16794-68-6)

4-Methylbenzoyl isothiocyanate

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InChI
InChI=1S/C9H7NOS/c1-7-2-4-8(5-3-7)9(11)10-6-12/h2-5H,1H3
InChI Key
RZCAJUGXEPHWJY-UHFFFAOYSA-N
Formula
C9H7NOS
SMILES
Cc1ccc(C(=O)N=C=S)cc1
Molecular Weight1
177.22
CAS
16794-68-6
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Physical Properties

Property Value Unit Source
Δfgas 167.46 kJ/mol Joback Calculated Property
Δvap 55.75 kJ/mol Joback Calculated Property
log10WS -3.04 Crippen Calculated Property
logPoct/wat 2.238 Crippen Calculated Property
McVol 133.210 ml/mol McGowan Calculated Property
Pc 3538.87 kPa Joback Calculated Property
Tboil 636.80 K Joback Calculated Property
Tc 898.72 K Joback Calculated Property

Similar Compounds

3-Methylbenzoyl isothiocyanate. Benzamide, 4-methyl-. p-Methylbenzyl isothiocyanate. Benzoyl isothiocyanate. 2-Methylbenzoyl isothiocyanate. N-Methyl-p-toluamide. Benzoic acid, 4-methyl-, hydrazide. 4-Chlorobenzoyl isothiocyanate. Benzaldehyde, 4-methyl-. Tolualdehyde. m-Toluamide. Benzoyl isocyanate. Benzene, (isothiocyanatomethyl)-. 3,4-Dimethylbenzamide. 3,4-Dimethylbenzyl isothiocyanate.

Find more compounds similar to 4-Methylbenzoyl isothiocyanate.

Sources

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