Chemical Properties of 2,6-Dimethylthiophenol (CAS 118-72-9)

2,6-Dimethylthiophenol

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InChI
InChI=1S/C8H10S/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3
InChI Key
QCLJODDRBGKIRW-UHFFFAOYSA-N
Formula
C8H10S
SMILES
Cc1cccc(C)c1S
Molecular Weight1
138.23
CAS
118-72-9
Other Names
  • 2,6-Dimethylbenzenethiol
  • Benzenethiol, 2,6-dimethyl-
Sources

Physical Properties

Property Value Unit Source
Δf 139.02 kJ/mol Joback Calculated Property
Δfgas 43.62 kJ/mol Joback Calculated Property
Δfus 13.78 kJ/mol Joback Calculated Property
Δvap 43.74 kJ/mol Joback Calculated Property
logPoct/wat 2.59 Crippen Calculated Property
Pc 3805.69 kPa Joback Calculated Property
Tboil 481.94 K Joback Calculated Property
Tc 719.76 K Joback Calculated Property
Tfus 267.84 K Joback Calculated Property
Vc 0.43 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 221.55 J/mol×K 481.94 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 3
=CH- (ring) 3
-CH3 2
-SH 1

Similar Compounds

2,4-Dimethylthiophenol. Benzenethiol, 2-methyl-. 2,6-Dimethylbenzenethiol, S-methyl-. 3,5-Dimethylthiophenol. 2,5-Dimethylthiophenol. 2,4-Dimethylbenzenethiol, S-methyl-. benzene, 2,4-dimethyl-1-(methylthio)-. Benzene, 1-methyl-2-(methylthio)-. 2-Mercaptobenzyl alcohol. Benzenethiol, 3-methyl-. Benzenethiol, 4-methyl-. 3,5-Dimethylthiophenol, s-methyl-. 4-Chloro-2-methylthiophenol. Benzenethiol, 4-(1,1-dimethylethyl)-2-methyl-. 2,6-Dimethylbenzenethiol, S-trimethylsilyl-.

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