Chemical Properties of Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-4-(methylthio)- (CAS 146558-39-6)

Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-4-(methylthio)-

InChI
InChI=1S/C13H18S/c1-10(13(2,3)4)11-6-8-12(14-5)9-7-11/h6-9H,1H2,2-5H3
InChI Key
RYYOLWGCONEHGL-UHFFFAOYSA-N
Formula
C13H18S
SMILES
C=C(c1ccc(SC)cc1)C(C)(C)C
Molecular Weight1
206.35
CAS
146558-39-6
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Physical Properties

Property Value Unit Source
PAff 894.80 kJ/mol NIST
BasG 866.00 kJ/mol NIST
ΔfusH° 17.20 kJ/mol Joback Calculated Property
ΔvapH° 70.16 kJ/mol Relay (1.0) Calculated Property
IE 7.74 eV Relay (1.0) Calculated Property
logPoct/wat 4.468 Crippen Calculated Property
McVol 182.320 ml/mol McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [235.94; 567.72] 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-3.60900e+01
Coefficient B1.20057e+00
Coefficient C-8.04360e-04
Coefficient D2.07600e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 235.94 J/mol×K 273.00 Calculated Property
Cp,gas 297.16 J/mol×K 353.78 Calculated Property
Cp,gas 350.77 J/mol×K 434.56 Calculated Property
Cp,gas 397.40 J/mol×K 515.33 Calculated Property
Cp,gas 437.73 J/mol×K 596.11 Calculated Property
Cp,gas 472.41 J/mol×K 676.89 Calculated Property
Cp,gas 502.09 J/mol×K 757.67 Calculated Property
Cp,gas 527.43 J/mol×K 838.44 Calculated Property
Cp,gas 549.09 J/mol×K 919.22 Calculated Property
Cp,gas 567.72 J/mol×K 1000.00 Calculated Property

Similar Compounds

Benzene, (2,2-dimethyl-1-methylenepropyl)-. Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-4-methyl-. Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-3-fluoro-. Styrene, .alpha.-tert-butyl-p-(trifluoromethyl)-. Benzene, 1-chloro-3-(2,2-dimethyl-1-methylenepropyl)-. Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-3-methyl-. Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-4-methoxy-. Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-3-(trifluoromethyl)-. Benzene, (2-methyl-1-methylenepropyl)-. Benzene, 2-chloro-4-(2,2-dimethyl-1-methylenepropyl)-1-methoxy-. Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-3,5-dimethyl-. 1-(4-methylthiophenyl)-2-propanone. 2,6-Diphenyl-1,6-heptadiene. Benzo[b]thiophene 1,1-dioxide, 3-methyl-. N-(1-methyl-2-[4-(methylsulfanyl)phenyl]ethyl)acetamide.

Find more compounds similar to Benzene, 1-(2,2-dimethyl-1-methylenepropyl)-4-(methylthio)-.

Sources

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