Chemical Properties of Benzene, 1-[(1,1-dimethylethyl)thio]-3-methyl-

Benzene, 1-[(1,1-dimethylethyl)thio]-3-methyl-

InChI
InChI=1S/C11H16S/c1-9-6-5-7-10(8-9)12-11(2,3)4/h5-8H,1-4H3
InChI Key
NOSDQZYLLGTSNW-UHFFFAOYSA-N
Formula
C11H16S
SMILES
Cc1cccc(SC(C)(C)C)c1
Molecular Weight1
180.32
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Physical Properties

Property Value Unit Source
ω 0.3364 Relay (1.0) Calculated Property
ΔfG° 180.48 kJ/mol Joback Calculated Property
ΔfH°gas -29.81 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 14.61 kJ/mol Joback Calculated Property
ΔvapH° 58.42 kJ/mol Relay (1.0) Calculated Property
IE 8.35 eV NIST
log10WS -4.37 Relay (1.0) Calculated Property
logPoct/wat 3.886 Crippen Calculated Property
McVol 158.440 ml/mol McGowan Calculated Property
Pc 2707.03 kPa Joback Calculated Property
Tboil 511.43 K Relay (1.0) Calculated Property
Tc 707.45 K Relay (1.0) Calculated Property
Tfus 271.23 K Relay (1.0) Calculated Property
Vc 0.576 m3/kmol Relay (1.0) Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [203.17; 493.32] 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 A-3.15900e+01
Coefficient B1.03067e+00
Coefficient C-6.70360e-04
Coefficient D1.64600e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 203.17 J/mol×K 273.00 Calculated Property
Cp,gas 256.42 J/mol×K 353.78 Calculated Property
Cp,gas 303.21 J/mol×K 434.56 Calculated Property
Cp,gas 344.05 J/mol×K 515.33 Calculated Property
Cp,gas 379.46 J/mol×K 596.11 Calculated Property
Cp,gas 409.96 J/mol×K 676.89 Calculated Property
Cp,gas 436.08 J/mol×K 757.67 Calculated Property
Cp,gas 458.33 J/mol×K 838.44 Calculated Property
Cp,gas 477.24 J/mol×K 919.22 Calculated Property
Cp,gas 493.32 J/mol×K 1000.00 Calculated Property

Similar Compounds

Benzene, 1-methyl-3-[(1-methylethyl)thio]-. 3-Methylbenzenethiol, S-acetyl-. Benzene, 1-(ethylthio)-3-methyl-. Benzene, 1-[(1,1-dimethylethyl)thio]-4-methyl-. Benzene, 1-methyl-3-(methylthio)-. Benzene, 1-methyl-4-[(1-methylethyl)thio]-. 2,5-Dimethylbenzenethiol, S-acetyl-. 2-Methylbenzenethiol, S-acetyl-. 3,5-Dimethylthiophenol, S-acetyl-. Ethanethioic acid, S-(4-methylphenyl) ester. Benzene, 1-(ethylthio)-4-methyl-. 2,4-Dimethylbenzenethiol, S-acetyl-. 2,5-Dimethylbenzenethiol, S-methyl-. 3-Methylbenzenethiol, S-trimethylsilyl-. M-TOLUENETHIOL.

Find more compounds similar to Benzene, 1-[(1,1-dimethylethyl)thio]-3-methyl-.

Sources

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