Chemical Properties of Benzenethiol, 3-methyl- (CAS 108-40-7)

Benzenethiol, 3-methyl-

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InChI
InChI=1S/C7H8S/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
InChI Key
WRXOZRLZDJAYDR-UHFFFAOYSA-N
Formula
C7H8S
SMILES
Cc1cccc(S)c1
Molecular Weight1
124.20
CAS
108-40-7
Other Names
  • 3-Mercaptotoluene
  • 3-Methylbenzenethiol
  • 3-Methylthiophenol
  • 3-Thiocresol
  • NSC 81219
  • USAF EK-2680
  • m-Mercaptotoluene
  • m-Methylbenzenethiol
  • m-Methylthiophenol
  • m-Thiocresol
  • m-Toluenethiol
  • m-Tolylmercaptan
  • m-Tolylthiol
  • toluene-3-thiol
Sources

Physical Properties

Property Value Unit Source
Δf 140.23 kJ/mol Joback Calculated Property
Δfgas 75.73 kJ/mol Joback Calculated Property
Δfus 11.58 kJ/mol Joback Calculated Property
Δvap 40.85 kJ/mol Joback Calculated Property
IE 8.44 eV NIST
logPoct/wat 2.28 Crippen Calculated Property
Pc 4385.77 kPa Joback Calculated Property
Tboil 468.20 K NIST
Tc 694.66 K Joback Calculated Property
Tfus 244.05 K Joback Calculated Property
Vc 0.37 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 181.55 J/mol×K 454.08 Joback Calculated Property
ΔvapH 48.70 kJ/mol 425.5 NIST
ΔvapH 47.10 kJ/mol 425.5 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 2
-CH3 1
=CH- (ring) 4
-SH 1

Similar Compounds

3,5-Dimethylthiophenol. 2,5-Dimethylthiophenol. 1,2-Benzenedithiol, 4-methyl-. Benzenethiol, 4-methyl-. Benzene, 1-methyl-3-(methylthio)-. Benzenethiol, 2-methyl-. 3,5-Dimethylthiophenol, s-methyl-. 2,6-Dimethylthiophenol. Benzene, 1-methyl-3-[(1-methylethyl)thio]-. 4-Ethylthiophenol. 2,4-Dimethylthiophenol. Benzene, 1-methyl-4-(methylthio)-. M-trifluoromethylthiophenol. 2,5-Dimethylbenzenethiol, s-methyl-. Tert-butyl m-tolyl sulfide.

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