Chemical Properties of 3-Acetylphenylisothiocyanate (CAS 3125-71-1)

3-Acetylphenylisothiocyanate

PDF Excel Molecule Calculator
InChI
InChI=1S/C9H7NOS/c1-7(11)8-3-2-4-9(5-8)10-6-12/h2-5H,1H3
InChI Key
RGANVWCPAAIVNN-UHFFFAOYSA-N
Formula
C9H7NOS
SMILES
CC(=O)c1cccc(N=C=S)c1
Molecular Weight1
177.22
CAS
3125-71-1
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
Δfgas 167.46 kJ/mol Joback Calculated Property
Δvap 55.75 kJ/mol Joback Calculated Property
log10WS -3.05 Crippen Calculated Property
logPoct/wat 2.623 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-Isocyanatoacetophenone. 3-Aminoacetophenone. 4-Acetylphenylisothiocyanate. Ethanone, 1-(3-nitrophenyl)-. 4-Isocyanatoacetophenone. 2-Bromo-3'-nitroacetophenone. 3-Nitrobenzeneacetyl chloride. 3-Ethylphenyl isothiocyanate. 4-Acetamidoacetophenone. Ethanone, 1-(2-aminophenyl)-. Acetophenone, 4'-amino-. 4-N,N-Dimethylaminoacetophenone. 1-(3-Aminophenyl)-1-butanone. Benzoic acid, 3-isothiocyanato-. 3-Ethylphenyl isocyanate.

Find more compounds similar to 3-Acetylphenylisothiocyanate.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.