Chemical Properties of Benzene, 4-chloro-3-(chloromethyl)-1-methyl

InChI

InChI=1S/C8H8Cl2/c1-6-2-3-8(10)7(4-6)5-9/h2-4H,5H2,1H3

InChI Key

PYEZGJNZDIRIIM-UHFFFAOYSA-N

Formula

C8H8Cl2

SMILES

Cc1ccc(Cl)c(CCl)c1

Molecular Weight¹

175.06

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, 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
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.60910e+01
Coefficient B			5.79520e-01
Coefficient C			-3.49320e-04
Coefficient D			7.77000e-08
Coefficient E			0.00000e+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
Equation			Y = 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 B			1.33726e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid 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

Find more compounds similar to Benzene, 4-chloro-3-(chloromethyl)-1-methyl.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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