Chemical Properties of Benzenethiol, 4-methyl- (CAS 106-45-6)

Benzenethiol, 4-methyl-

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InChI
InChI=1S/C7H8S/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
InChI Key
WLHCBQAPPJAULW-UHFFFAOYSA-N
Formula
C7H8S
SMILES
Cc1ccc(S)cc1
Molecular Weight1
124.20
CAS
106-45-6
Other Names
  • 1-Mercapto-4-methylbenzene
  • 4-Methylbenzenethiol
  • 4-Methylphenyl mercaptan
  • 4-Methylthiophenol
  • 4-Thiocresol
  • 4-Toluenethiol
  • NSC 2227
  • USAF EK-510
  • p-Mercaptotoluene
  • p-Methylbenzenethiol
  • p-Methylbenzenthiol
  • p-Methylphenyl mercaptan
  • p-Methylthiophenol
  • p-Thiocresol
  • p-Thiolcresol
  • p-Toluenethiol
  • p-Tolyl mercaptan
  • p-Tolylthiol
  • p-Tolylthiophenol
  • toluene-4-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 8.00 eV NIST
IE 8.33 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 48.10 kJ/mol 425.0 NIST
ΔvapH 46.50 kJ/mol 425.0 NIST

Molecular Descriptors

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

Similar Compounds

Benzenethiol, 3-methyl-. 4-Ethylthiophenol. Benzene, 1-methyl-4-(methylthio)-. Benzenethiol, 2-methyl-. 1,2-Benzenedithiol, 4-methyl-. 2,4-Dimethylthiophenol. Benzene, 1-(ethylthio)-4-methyl-. 3,5-Dimethylthiophenol. 4-Isopropylthiophenol. 4-(Trifluoromethyl)thiophenol. 4-CH3S-C6H4-CCH. 2,6-Dimethylthiophenol. Disulfide, bis(4-methylphenyl). Benzene, 1-methyl-4-[(1-methylethyl)thio]-. Benzaldehyde, 4-(methylthio)-.

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