Chemical Properties of 3-Chloro-4-methylbenzyl chloride (CAS 2719-40-6)

InChI

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

InChI Key

JTMYLQKKQFLIGV-UHFFFAOYSA-N

Formula

C8H8Cl2

SMILES

Cc1ccc(CCl)cc1Cl

Molecular Weight¹

175.06

CAS

2719-40-6

Other Names

• 2-Chloro-4-chloromethyltoluene
• 3-Chloro-1-(Chloromethyl)-4-methylbenzene
• Benzene, 2-chloro-4-(chloromethyl)-1-methyl
• Benzene, 3-chloro-1-chloromethyl-4-methyl

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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.

Pressure Dependent Properties

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 3-Chloro-4-methylbenzyl chloride.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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