Chemical Properties of Benzene, (1-chloro-1,2-dimethylpropyl)

Benzene, (1-chloro-1,2-dimethylpropyl)

InChI
InChI=1S/C11H15Cl/c1-9(2)11(3,12)10-7-5-4-6-8-10/h4-9H,1-3H3
InChI Key
HFXFGGPUUWNIOU-UHFFFAOYSA-N
Formula
C11H15Cl
SMILES
CC(C)C(C)(Cl)c1ccccc1
Molecular Weight1
182.69
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ω 0.3267 Relay (1.0) Calculated Property
ΔfH°gas -70.45 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 11.55 kJ/mol Joback Calculated Property
ΔvapH° 55.74 kJ/mol Relay (1.0) Calculated Property
IE 8.94 eV Relay (1.0) Calculated Property
log10WS -3.96 Relay (1.0) Calculated Property
logPoct/wat 3.797 Crippen Calculated Property
McVol 154.330 ml/mol McGowan Calculated Property
Pc 2621.78 kPa Joback Calculated Property
Inp [1262.00; 1262.00]   Show Hide
Inp 1262.00 NIST
Inp 1262.00 NIST
Tboil 495.12 K Relay (1.0) Calculated Property
Tc 715.96 K Relay (1.0) Calculated Property
Tfus 301.19 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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 [193.21; 478.58] 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-5.42800e+01
Coefficient B1.10846e+00
Coefficient C-8.01200e-04
Coefficient D2.25600e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 193.21 J/mol×K 273.00 Calculated Property
Cp,gas 247.58 J/mol×K 353.78 Calculated Property
Cp,gas 294.62 J/mol×K 434.56 Calculated Property
Cp,gas 335.05 J/mol×K 515.33 Calculated Property
Cp,gas 369.57 J/mol×K 596.11 Calculated Property
Cp,gas 398.90 J/mol×K 676.89 Calculated Property
Cp,gas 423.75 J/mol×K 757.67 Calculated Property
Cp,gas 444.84 J/mol×K 838.44 Calculated Property
Cp,gas 462.88 J/mol×K 919.22 Calculated Property
Cp,gas 478.58 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0069791; 0.0001978] Pa×s [257.49; 516.59] 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-1.20692e+01
Coefficient B1.82930e+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.257.49
Temperature range, max.516.59
η 0.0069791 Pa×s 257.49 Calculated Property
η 0.0034160 Pa×s 286.28 Calculated Property
η 0.0019052 Pa×s 315.07 Calculated Property
η 0.0011717 Pa×s 343.86 Calculated Property
η 0.0007769 Pa×s 372.65 Calculated Property
η 0.0005463 Pa×s 401.44 Calculated Property
η 0.0004027 Pa×s 430.23 Calculated Property
η 0.0003085 Pa×s 459.02 Calculated Property
η 0.0002438 Pa×s 487.81 Calculated Property
η 0.0001978 Pa×s 516.59 Calculated Property

Similar Compounds

Benzene, (1-chloro-1-ethylpropyl). Benzene, (1-chloro-1-methylbutyl). Benzene, (2-chloro-1,2-dimethylpropyl). erythro-Benzene, (3-chloro-1,2-dimethylpropyl). threo-Benzene, (3-chloro-1,2-dimethylpropyl). Benzene, (1,1,2-trimethylpropyl)-. Benzene, [1-(chloromethyl)-2-methylpropyl]. Benzene, (1,2-dimethylpropyl)-. 3-Methyl-2-phenylbutane-2-ol. Benzene, (1-ethyl-2-methylpropyl). Benzene, [2-methyl-1-(1-methylethyl)propyl]-. Cyclopropane, 1,1-dichloro-2-(1-methylethyl)-2-phenyl. threo-Benzene, (2-chloro-1-ethylpropyl). erythro-Benzene, (2-chloro-1-ethylpropyl). Benzene, (3-chloro-1-ethylpropyl).

Find more compounds similar to Benzene, (1-chloro-1,2-dimethylpropyl).

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.