Chemical Properties of 2,5-Dimethylthiophenol (CAS 4001-61-0)

2,5-Dimethylthiophenol

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InChI
InChI=1S/C8H10S/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3
InChI Key
NHAUBUMQRJWWAT-UHFFFAOYSA-N
Formula
C8H10S
SMILES
Cc1ccc(C)c(S)c1
Molecular Weight1
138.23
CAS
4001-61-0
Other Names
  • 2,5-Dimethylbenzenethiol
  • Benzenethiol, 2,5-dimethyl-
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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
log10WS -2.94 Crippen Calculated Property
logPoct/wat 2.592 Crippen Calculated Property
McVol 116.170 ml/mol McGowan Calculated Property
Pc 3805.69 kPa Joback Calculated Property
Inp [1206.20; 1206.20]   Show Hide
Inp 1206.20 NIST
Inp 1206.20 NIST
Tboil 481.94 K Joback Calculated Property
Tc 719.76 K Joback Calculated Property
Tfus 267.84 K Joback Calculated Property
Vc 0.429 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [221.55; 285.11] J/mol×K [481.94; 719.76] Show Hide
Cp,gas 221.55 J/mol×K 481.94 Joback Calculated Property
Cp,gas 233.86 J/mol×K 521.58 Joback Calculated Property
Cp,gas 245.45 J/mol×K 561.21 Joback Calculated Property
Cp,gas 256.34 J/mol×K 600.85 Joback Calculated Property
Cp,gas 266.57 J/mol×K 640.49 Joback Calculated Property
Cp,gas 276.15 J/mol×K 680.13 Joback Calculated Property
Cp,gas 285.11 J/mol×K 719.76 Joback Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 399.50 K 6.70 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [356.02; 519.93] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.39532e+01
Coefficient B-3.85293e+03
Coefficient C-7.40760e+01
Temperature range, min.356.02
Temperature range, max.519.93
Pvap 1.33 kPa 356.02 Calculated Property
Pvap 3.05 kPa 374.23 Calculated Property
Pvap 6.37 kPa 392.44 Calculated Property
Pvap 12.25 kPa 410.66 Calculated Property
Pvap 22.05 kPa 428.87 Calculated Property
Pvap 37.48 kPa 447.08 Calculated Property
Pvap 60.62 kPa 465.29 Calculated Property
Pvap 93.94 kPa 483.51 Calculated Property
Pvap 140.25 kPa 501.72 Calculated Property
Pvap 202.65 kPa 519.93 Calculated Property

Similar Compounds

Benzenethiol, 2-methyl-. Benzenethiol, 3-methyl-. 2,4-Dimethylthiophenol. 2,6-Dimethylthiophenol. 1,2-Benzenedithiol, 4-methyl-. 2,5-Dimethylbenzenethiol, S-methyl-. 2-Mercaptobenzyl alcohol. 2,5-Dimethylbenzenethiol, S-acetyl-. 4-Chloro-2-methylthiophenol. 2,5-Dimethylbenzenethiol, S-trimethylsilyl-. 3,5-Dimethylthiophenol. Benzene, 1-methyl-3-(methylthio)-. Benzene, 1,1'-thiobis[2-methyl-. Benzene, 1-methyl-2-(methylthio)-. Benzenethiol, 4-(1,1-dimethylethyl)-2-methyl-.

Find more compounds similar to 2,5-Dimethylthiophenol.

Sources

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