Chemical Properties of 3-Methylbenzoyl isothiocyanate (CAS 28115-86-8)

3-Methylbenzoyl isothiocyanate

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InChI
InChI=1S/C9H7NOS/c1-7-3-2-4-8(5-7)9(11)10-6-12/h2-5H,1H3
InChI Key
DXKOLJYVHYILGA-UHFFFAOYSA-N
Formula
C9H7NOS
SMILES
Cc1cccc(C(=O)N=C=S)c1
Molecular Weight1
177.22
CAS
28115-86-8
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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

m-Toluamide. 4-Methylbenzoyl isothiocyanate. 2-Methylbenzoyl isothiocyanate. Benzamide, N,N,3-trimethyl-. 3-Methylbenzyl isothiocyanate. 3-Methylbenzoylhydrazide. 3,4-Dimethylbenzamide. m-Xylylene diisocyanate. 1,2-Di-(m-toluoyl)-hydrazine. 3,4-Dimethylbenzyl isothiocyanate. Benzaldehyde, 3-methyl-. 2,3-Dimethylbenzamide. Benzoyl isothiocyanate. Benzamide, 2-methyl-. Diethyltoluamide.

Find more compounds similar to 3-Methylbenzoyl isothiocyanate.

Sources

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