Chemical Properties of 4-CH3S-C6H4-COCH3 (CAS 1778-09-2)

4-CH3S-C6H4-COCH3

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InChI
InChI=1S/C9H10OS/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3
InChI Key
JECUZQLBQKNEMW-UHFFFAOYSA-N
Formula
C9H10OS
SMILES
CSc1ccc(C(C)=O)cc1
Molecular Weight1
166.24
CAS
1778-09-2
Other Names
  • 1-[4-(methylthio)phenyl]ethan-1-one
  • 4-(Methylthio)acetophenone
  • 4-CH3S-C6H4-COCH3
Sources

Physical Properties

Property Value Unit Source
PAff 888.20 kJ/mol NIST
BasG 856.30 kJ/mol NIST
Δf 31.88 kJ/mol Joback Calculated Property
Δfgas -74.74 kJ/mol Joback Calculated Property
Δfus 18.45 kJ/mol Joback Calculated Property
Δvap 52.13 kJ/mol Joback Calculated Property
logPoct/wat 2.61 Crippen Calculated Property
Pc 3517.91 kPa Joback Calculated Property
Tboil 559.63 K Joback Calculated Property
Tc 800.44 K Joback Calculated Property
Tfus 314.46 K Joback Calculated Property
Vc 0.49 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 280.71 J/mol×K 559.63 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 2
-S- 1
>C=O (nonring) 1
-CH3 2
=CH- (ring) 4

Similar Compounds

Benzaldehyde, 4-(methylthio)-. 4-Isopropylbenzenethiol, S-methyl-. Ethanone, 1-[4-(phenylthio)phenyl]-. Di-acetodiphenylmonosulfide. 3-Cl-4-CH3S-C6H3-COCH3. 3-CH3S-C6H4-COCH3. 1-(4-methylthiophenyl)-2-propanone. 4-(Methylthio)benzoic acid. 4-Isopropylbenzenethiol, s-acetyl-. Benzene, 1-methyl-4-(methylthio)-. Acetophenone. 4-Mercaptobenzoic acid, S-methyl-, methyl ester. 4-Ethylthiophenol. Benzene, 1-(ethylthio)-4-methyl-. Benzoic acid, 4-(acetylthio)-.

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