Chemical Properties of 4-Isopropylbenzenethiol, s-acetyl-

4-Isopropylbenzenethiol, s-acetyl-

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InChI
InChI=1S/C11H14OS/c1-8(2)10-4-6-11(7-5-10)13-9(3)12/h4-8H,1-3H3
InChI Key
QMBWRQVNMADNBE-UHFFFAOYSA-N
Formula
C11H14OS
SMILES
CC(=O)Sc1ccc(C(C)C)cc1
Molecular Weight1
194.29
Sources

Physical Properties

Property Value Unit Source
Δf 46.28 kJ/mol Joback Calculated Property
Δfgas -121.30 kJ/mol Joback Calculated Property
Δfus 20.10 kJ/mol Joback Calculated Property
Δvap 56.19 kJ/mol Joback Calculated Property
logPoct/wat 3.45 Crippen Calculated Property
Pc 2859.68 kPa Joback Calculated Property
Tboil 604.95 K Joback Calculated Property
Tc 841.20 K Joback Calculated Property
Tfus 322.00 K Joback Calculated Property
Vc 0.60 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 374.21 J/mol×K 604.95 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
>C=O (nonring) 1
=CH- (ring) 4
=C< (ring) 2
-S- 1
-CH3 3

Similar Compounds

4-Isopropylbenzenethiol, S-methyl-. Ethanethioic acid, s-(4-methylphenyl) ester. 2-Isopropylbenzenethiol, S-acetyl-. 4-Isopropylthiophenol. Benzene, 1-(ethylthio)-4-methyl-. Benzoic acid, 4-(acetylthio)-. 3-Methylbenzenethiol, s-acetyl-. 1-(4-methylthiophenyl)-2-propanone. Benzene, 1-methyl-4-[(1-methylethyl)thio]-. 4-CH3S-C6H4-COCH3. 2,4-Dimethylbenzenethiol, S-acetyl-. Ethanethioic acid, s-phenyl ester. 2-Methylbenzenethiol, s-acetyl-. 3,5-Dimethylthiophenol, S-acetyl-. Benzene, 1-[(1,1-dimethylethyl)thio]-4-methyl-.

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