Chemical Properties of 2,4-Dimethylbenzenethiol, S-acetyl-

2,4-Dimethylbenzenethiol, S-acetyl-

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InChI
InChI=1S/C10H12OS/c1-7-4-5-10(8(2)6-7)12-9(3)11/h4-6H,1-3H3
InChI Key
VOOIXSSVQSQNCC-UHFFFAOYSA-N
Formula
C10H12OS
SMILES
CC(=O)Sc1ccc(C)cc1C
Molecular Weight1
180.27
Sources

Physical Properties

Property Value Unit Source
Δf 30.67 kJ/mol Joback Calculated Property
Δfgas -106.85 kJ/mol Joback Calculated Property
Δfus 20.65 kJ/mol Joback Calculated Property
Δvap 55.02 kJ/mol Joback Calculated Property
logPoct/wat 2.94 Crippen Calculated Property
Pc 3096.73 kPa Joback Calculated Property
Tboil 587.49 K Joback Calculated Property
Tc 824.42 K Joback Calculated Property
Tfus 338.25 K Joback Calculated Property
Vc 0.55 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 325.62 J/mol×K 587.49 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2,6-Dimethylbenzenethiol, s-acetyl-. 2-Methylbenzenethiol, s-acetyl-. 2,5-Dimethylbenzenethiol, s-acetyl-. 2,4-Dimethylbenzenethiol, S-methyl-. benzene, 2,4-dimethyl-1-(methylthio)-. Ethanethioic acid, s-(4-methylphenyl) ester. 2-Isopropylbenzenethiol, S-acetyl-. 3,5-Dimethylthiophenol, S-acetyl-. 2-(Trifluoromethyl)thiophenol, s-acetyl-. 2,6-Dimethylbenzenethiol, S-methyl-. 4-Isopropylbenzenethiol, s-acetyl-. 3-Methylbenzenethiol, s-acetyl-. Benzene, 1-methyl-2-(methylthio)-. Benzoic acid, 4-(acetylthio)-. Benzene, 1-(ethylthio)-4-methyl-.

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