Chemical Properties of 3-Cl-4-CH3S-C6H3-COCH3 (CAS 32467-66-6)

3-Cl-4-CH3S-C6H3-COCH3

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InChI
InChI=1S/C9H9ClOS/c1-6(11)7-3-4-9(12-2)8(10)5-7/h3-5H,1-2H3
InChI Key
IYWCQEVVYVUWFY-UHFFFAOYSA-N
Formula
C9H9ClOS
SMILES
CSc1ccc(C(C)=O)cc1Cl
Molecular Weight1
200.68
CAS
32467-66-6
Sources

Physical Properties

Property Value Unit Source
PAff 880.40 kJ/mol NIST
BasG 848.60 kJ/mol NIST
Δf 10.32 kJ/mol Joback Calculated Property
Δfgas -101.95 kJ/mol Joback Calculated Property
Δfus 22.25 kJ/mol Joback Calculated Property
Δvap 57.18 kJ/mol Joback Calculated Property
logPoct/wat 3.26 Crippen Calculated Property
Pc 3310.55 kPa Joback Calculated Property
Tboil 602.04 K Joback Calculated Property
Tc 847.62 K Joback Calculated Property
Tfus 356.90 K Joback Calculated Property
Vc 0.54 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 303.03 J/mol×K 602.04 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-Cl 1
=CH- (ring) 3
=C< (ring) 3
-S- 1
>C=O (nonring) 1
-CH3 2

Similar Compounds

3-Cl-4-CH3S-C6H3-COOCH3. 4-CH3S-C6H4-COCH3. 3-Cl-4-CH3S-C6H3-CCH. Acetophenone, 3'-chloro-. 2,5-Dichloroacetophenone. Ethanone, 1-(3,4-dichlorophenyl)-. 3-Chlorobenzoylacetonitrile. Ethanone, 1-(5-chloro-2-hydroxyphenyl)-. 3-Chloro-4-fluoroacetophenone. Di-acetodiphenylmonosulfide. Ethanone, 1-[4-(phenylthio)phenyl]-. Ethanone, 1-(2,4,5-trichlorophenyl)-. 3,4-Dichlorobenzoylacetonitrile. Ethanone, 1-(2,3,4-trichlorophenyl)-. 3-Cl-4-CH3O-C6H3-COCH3.

Find more compounds similar to 3-Cl-4-CH3S-C6H3-COCH3.

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