Chemical Properties of 4-Methoxy-3-methylbenzyl chloride

InChI

InChI=1S/C9H11ClO/c1-7-5-8(6-10)3-4-9(7)11-2/h3-5H,6H2,1-2H3

InChI Key

BHEHNICAPZVKRH-UHFFFAOYSA-N

Formula

C9H11ClO

SMILES

COc1ccc(CCl)cc1C

Molecular Weight¹

170.64

• 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).
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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	[173.06; 385.81]	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			2.77910e+01
Coefficient B			6.04540e-01
Coefficient C			-2.72320e-04
Coefficient D			2.58000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	173.06	J/mol×K	273.00	Calculated Property
Cp,gas	208.72	J/mol×K	353.78	Calculated Property
Cp,gas	241.19	J/mol×K	434.56	Calculated Property
Cp,gas	270.54	J/mol×K	515.33	Calculated Property
Cp,gas	296.86	J/mol×K	596.11	Calculated Property
Cp,gas	320.23	J/mol×K	676.89	Calculated Property
Cp,gas	340.72	J/mol×K	757.67	Calculated Property
Cp,gas	358.43	J/mol×K	838.44	Calculated Property
Cp,gas	373.43	J/mol×K	919.22	Calculated Property
Cp,gas	385.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013866; 0.0002008]	Pa×s	[294.80; 501.44]	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			-1.12694e+01
Coefficient B			1.38219e+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.			294.80
Temperature range, max.			501.44
η	0.0013866	Pa×s	294.80	Calculated Property
η	0.0009882	Pa×s	317.76	Calculated Property
η	0.0007371	Pa×s	340.72	Calculated Property
η	0.0005706	Pa×s	363.68	Calculated Property
η	0.0004553	Pa×s	386.64	Calculated Property
η	0.0003726	Pa×s	409.60	Calculated Property
η	0.0003115	Pa×s	432.56	Calculated Property
η	0.0002652	Pa×s	455.52	Calculated Property
η	0.0002292	Pa×s	478.48	Calculated Property
η	0.0002008	Pa×s	501.44	Calculated Property

Similar Compounds

Find more compounds similar to 4-Methoxy-3-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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