Chemical Properties of 2,4-Dimethylbenzenethiol, S-acetyl-

2,4-Dimethylbenzenethiol, S-acetyl-

InChI
InChI=1S/C10H12OS/c1-7-4-5-10(8(2)6-7)12-9(3)11/h4-6H,1-3H3
InChI Key
VOOIXSSVQSQNCC-UHFFFAOYSA-N
Formula
C10H12OS
SMILES
CC(=O)Sc1ccc(C)cc1C
Molecular Weight1
180.27
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Physical Properties

Property Value Unit Source
ω 0.4199 Relay (1.0) Calculated Property
ΔfG° 30.67 kJ/mol Joback Calculated Property
ΔfH°gas -134.44 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 20.65 kJ/mol Joback Calculated Property
ΔvapH° 63.36 kJ/mol Relay (1.0) Calculated Property
IE 8.35 eV Relay (1.0) Calculated Property
log10WS -3.45 Relay (1.0) Calculated Property
logPoct/wat 2.942 Crippen Calculated Property
McVol 145.920 ml/mol McGowan Calculated Property
Pc 3096.73 kPa Joback Calculated Property
Inp 1449.00 NIST
Tboil 516.61 K Relay (1.0) Calculated Property
Tc 737.03 K Relay (1.0) Calculated Property
Tfus 301.47 K Relay (1.0) Calculated Property
Vc 0.508 m3/kmol Relay (1.0) Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [186.89; 426.24] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A1.54500e+01
Coefficient B7.22350e-01
Coefficient C-3.58420e-04
Coefficient D4.68600e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 186.89 J/mol×K 273.00 Calculated Property
Cp,gas 228.22 J/mol×K 353.78 Calculated Property
Cp,gas 265.51 J/mol×K 434.56 Calculated Property
Cp,gas 298.93 J/mol×K 515.33 Calculated Property
Cp,gas 328.61 J/mol×K 596.11 Calculated Property
Cp,gas 354.71 J/mol×K 676.89 Calculated Property
Cp,gas 377.38 J/mol×K 757.67 Calculated Property
Cp,gas 396.76 J/mol×K 838.44 Calculated Property
Cp,gas 412.99 J/mol×K 919.22 Calculated Property
Cp,gas 426.24 J/mol×K 1000.00 Calculated Property

Similar Compounds

2-Methylbenzenethiol, S-acetyl-. 2,6-Dimethylbenzenethiol, S-acetyl-. 2,5-Dimethylbenzenethiol, S-acetyl-. 2,4-Dimethylbenzenethiol, S-methyl-. benzene, 2,4-dimethyl-1-(methylthio)-. Ethanethioic acid, S-(4-methylphenyl) ester. 3-Methylbenzenethiol, S-acetyl-. 2,4-Dimethylthiophenol. 2-Isopropylbenzenethiol, S-acetyl-. 2-(Trifluoromethyl)thiophenol, S-acetyl-. 2,4-Dimethylbenzenethiol, S-trimethylsilyl-. 3,5-Dimethylthiophenol, S-acetyl-. Benzene, 1-methyl-2-(methylthio)-. 2,6-Dimethylbenzenethiol, S-methyl-. Benzo[b]thiophene, 2,3-dihydro-.

Find more compounds similar to 2,4-Dimethylbenzenethiol, S-acetyl-.

Sources

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