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

Benzenethiol, 3-methyl-

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
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Physical Properties

Property Value Unit Source
ω 0.3186 Relay (1.0) Calculated Property
ΔfG° 140.23 kJ/mol Joback Calculated Property
ΔfH°gas 78.21 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 11.58 kJ/mol Joback Calculated Property
ΔvapH° 54.09 kJ/mol Relay (1.0) Calculated Property
IE 8.44 eV NIST
log10WS -2.63 Relay (1.0) Calculated Property
logPoct/wat 2.284 Crippen Calculated Property
McVol 102.080 ml/mol McGowan Calculated Property
Pc 4385.77 kPa Joback Calculated Property
Tboil 468.20 K NIST
Tc 697.70 K Relay (1.0) Calculated Property
Tfus 252.30 K Relay (1.0) Calculated Property
Vc 0.353 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [181.55; 239.70] J/mol×K [454.08; 694.66] Show Hide
Cp,gas 181.55 J/mol×K 454.08 Joback Calculated Property
Cp,gas 192.97 J/mol×K 494.18 Joback Calculated Property
Cp,gas 203.66 J/mol×K 534.27 Joback Calculated Property
Cp,gas 213.64 J/mol×K 574.37 Joback Calculated Property
Cp,gas 222.96 J/mol×K 614.47 Joback Calculated Property
Cp,gas 231.63 J/mol×K 654.56 Joback Calculated Property
Cp,gas 239.70 J/mol×K 694.66 Joback Calculated Property
ΔvapH [47.10; 48.70] kJ/mol [425.50; 425.50] Show Hide
ΔvapH 48.70 kJ/mol 425.50 NIST
ΔvapH 47.10 kJ/mol 425.50 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [348.10; 497.82] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.45987e+01
Coefficient B-3.96098e+03
Coefficient C-7.13230e+01
Temperature range, min.348.10
Temperature range, max.497.82
Pvap 1.33 kPa 348.10 Calculated Property
Pvap 3.00 kPa 364.74 Calculated Property
Pvap 6.19 kPa 381.37 Calculated Property
Pvap 11.87 kPa 398.01 Calculated Property
Pvap 21.36 kPa 414.64 Calculated Property
Pvap 36.40 kPa 431.28 Calculated Property
Pvap 59.19 kPa 447.91 Calculated Property
Pvap 92.36 kPa 464.55 Calculated Property
Pvap 139.01 kPa 481.18 Calculated Property
Pvap 202.65 kPa 497.82 Calculated Property

Similar Compounds

1,2-Benzenedithiol, 4-methyl-. 2,5-Dimethylthiophenol. Benzenethiol, 2-methyl-. 3,5-Dimethylthiophenol. Benzenethiol, 4-methyl-. Benzene, 1-methyl-3-(methylthio)-. 2,4-Dimethylthiophenol. 2,6-Dimethylthiophenol. 3-Methylbenzenethiol, S-acetyl-. 3-Methylbenzenethiol, S-trimethylsilyl-. 2-Mercaptobenzyl alcohol. Benzene, 1-(ethylthio)-3-methyl-. m-Trifluoromethylthiophenol. tert-Butyl m-Tolyl sulfide. Benzene, 1-methyl-3-[(1-methylethyl)thio]-.

Find more compounds similar to Benzenethiol, 3-methyl-.

Sources

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