Chemical Properties of Benzene, 2-chloro-1-methyl-4-(1,1-dimethylethyl)

Benzene, 2-chloro-1-methyl-4-(1,1-dimethylethyl)

InChI
InChI=1S/C11H15Cl/c1-8-5-6-9(7-10(8)12)11(2,3)4/h5-7H,1-4H3
InChI Key
GPHQXTFRTJKHPI-UHFFFAOYSA-N
Formula
C11H15Cl
SMILES
Cc1ccc(C(C)(C)C)cc1Cl
Molecular Weight1
182.69
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Physical Properties

Property Value Unit Source
ΔfH°gas -100.02 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 14.29 kJ/mol Joback Calculated Property
ΔvapH° 55.83 kJ/mol Relay (1.0) Calculated Property
IE 8.49 eV Relay (1.0) Calculated Property
logPoct/wat 3.946 Crippen Calculated Property
McVol 154.330 ml/mol McGowan Calculated Property
Pc 2522.65 kPa Joback Calculated Property
Inp [1262.00; 1262.00]   Show Hide
Inp 1262.00 NIST
Inp 1262.00 NIST
Tboil 498.77 K Relay (1.0) Calculated Property
Tc 718.17 K Relay (1.0) Calculated Property
Tfus 277.35 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, 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 [198.62; 471.96] 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-2.40000e+01
Coefficient B9.83580e-01
Coefficient C-6.63920e-04
Coefficient D1.76300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 198.62 J/mol×K 273.00 Calculated Property
Cp,gas 248.68 J/mol×K 353.78 Calculated Property
Cp,gas 292.51 J/mol×K 434.56 Calculated Property
Cp,gas 330.68 J/mol×K 515.33 Calculated Property
Cp,gas 363.75 J/mol×K 596.11 Calculated Property
Cp,gas 392.26 J/mol×K 676.89 Calculated Property
Cp,gas 416.78 J/mol×K 757.67 Calculated Property
Cp,gas 437.86 J/mol×K 838.44 Calculated Property
Cp,gas 456.07 J/mol×K 919.22 Calculated Property
Cp,gas 471.96 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0023098; 0.0002012] Pa×s [297.53; 521.93] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.17472e+01
Coefficient B1.68896e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.297.53
Temperature range, max.521.93
η 0.0023098 Pa×s 297.53 Calculated Property
η 0.0014892 Pa×s 322.46 Calculated Property
η 0.0010226 Pa×s 347.40 Calculated Property
η 0.0007384 Pa×s 372.33 Calculated Property
η 0.0005555 Pa×s 397.26 Calculated Property
η 0.0004321 Pa×s 422.20 Calculated Property
η 0.0003457 Pa×s 447.13 Calculated Property
η 0.0002832 Pa×s 472.06 Calculated Property
η 0.0002367 Pa×s 497.00 Calculated Property
η 0.0002012 Pa×s 521.93 Calculated Property

Similar Compounds

Benzene, 3-chloro-1-methyl-4-(1,1-dimethylethyl). Benzene, 2-chloro-1-methyl-4-(1-methylethyl)-. Benzene, chloro, 1,2-dimethyl, 4-(1,1-dimethylethyl). 4-tert-Butyltoluene. 1-Chloro-2,5-diisopropylbenzene. m-Tert-butyl chlorobenzene. Benzene, 2-chloro-1-methyl-4-(1-methylethenyl). Benzene, 1-(1,1-dimethylethyl)-4-ethyl-. Benzenemethanol, 4-(1,1-dimethylethyl)-. 4-t-Butyl-o-xylene. Benzene, 1-(1,1-dimethylethyl)-3-methyl-. Benzene, 1-(chloromethyl)-4-(1,1-dimethylethyl)-. p-tert-Butylbenzyl bromide. Benzene, 1-(1,1-dimethylethyl)-4-(2-fluoroethyl). Benzene, 1-methyl-4-[1-(chloromethyl)-1-methylethyl].

Find more compounds similar to Benzene, 2-chloro-1-methyl-4-(1,1-dimethylethyl).

Sources

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