Chemical Properties of [2H8]-3-Chloro-1-(Chloromethyl)-4-methylbenzene

[2H8]-3-Chloro-1-(Chloromethyl)-4-methylbenzene

InChI
InChI=1S/C8H8Cl2/c1-6-2-3-7(5-9)4-8(6)10/h2-4H,5H2,1H3/i1D3,2D,3D,4D,5D2
InChI Key
JTMYLQKKQFLIGV-ANBDHSGPSA-N
Formula
C8D8Cl2
SMILES
Cc1ccc(CCl)cc1Cl
Molecular Weight1
183.10
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Physical Properties

Property Value Unit Source
ΔfH°gas -43.37 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 18.13 kJ/mol Joback Calculated Property
IE 8.82 eV Relay (1.0) Calculated Property
logPoct/wat 3.387 Crippen Calculated Property
McVol 124.300 ml/mol McGowan Calculated Property
Inp [1249.00; 1310.00]   Show Hide
Inp 1310.00 NIST
Inp 1249.00 NIST
Inp 1310.00 NIST
Tboil 501.87 K Relay (1.0) Calculated Property
Tfus 306.88 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization 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 [149.85; 323.99] 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 A1.60910e+01
Coefficient B5.79520e-01
Coefficient C-3.49320e-04
Coefficient D7.77000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 149.85 J/mol×K 273.00 Calculated Property
Cp,gas 180.83 J/mol×K 353.78 Calculated Property
Cp,gas 208.34 J/mol×K 434.56 Calculated Property
Cp,gas 232.60 J/mol×K 515.33 Calculated Property
Cp,gas 253.88 J/mol×K 596.11 Calculated Property
Cp,gas 272.41 J/mol×K 676.89 Calculated Property
Cp,gas 288.44 J/mol×K 757.67 Calculated Property
Cp,gas 302.22 J/mol×K 838.44 Calculated Property
Cp,gas 313.98 J/mol×K 919.22 Calculated Property
Cp,gas 323.99 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0017277; 0.0002488] Pa×s [291.22; 503.87] 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-1.09529e+01
Coefficient B1.33726e+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.291.22
Temperature range, max.503.87
η 0.0017277 Pa×s 291.22 Calculated Property
η 0.0012241 Pa×s 314.85 Calculated Property
η 0.0009100 Pa×s 338.48 Calculated Property
η 0.0007032 Pa×s 362.10 Calculated Property
η 0.0005609 Pa×s 385.73 Calculated Property
η 0.0004591 Pa×s 409.36 Calculated Property
η 0.0003842 Pa×s 432.99 Calculated Property
η 0.0003274 Pa×s 456.61 Calculated Property
η 0.0002835 Pa×s 480.24 Calculated Property
η 0.0002488 Pa×s 503.87 Calculated Property

Similar Compounds

3-Chloro-4-methylbenzyl chloride. Benzene, 2-chloro-1,4-bis-(chloromethyl). [2H8]-2-Chloro-1-(Chloromethyl)-4-methylbenzene. Benzene, 2-chloro-1,4-dimethyl-. [2H9]-2-Chloro-1,4-dimethylbenzene. Benzene, 1-chloro-3-(chloromethyl)-. Benzene, 1,2-dichloro-4-(chloromethyl)-. Benzene, 2,4-dichloro-1-(chloromethyl)-. Benzene, 1-chloro-2-(chloromethyl)-. Benzene, 2-chloro-5-(chloromethyl)-1-methyl. 3-Chloro-4-methylbenzonitrile. 1,2,4-trichloro-5-(chloromethyl)benzene. Benzene, 4-chloro-3-(chloromethyl)-1-methyl. 3-Chloro-4-methylbenzyl alcohol. Benzene, 2,4-dichloro-1-methyl-.

Find more compounds similar to [2H8]-3-Chloro-1-(Chloromethyl)-4-methylbenzene.

Sources

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