Chemical Properties of Methyl 4-chloro-3-methylbenzoate (CAS 91367-05-4)

InChI

InChI=1S/C9H9ClO2/c1-6-5-7(9(11)12-2)3-4-8(6)10/h3-5H,1-2H3

InChI Key

QOTGNXMPQNGYDM-UHFFFAOYSA-N

Formula

C9H9ClO2

SMILES

COC(=O)c1ccc(Cl)c(C)c1

Molecular Weight¹

184.62

CAS

91367-05-4

Other Names

• Benzoic acid, 4-chloro-3-methyl-, methyl ester

• ω : Acentric Factor.
• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• 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 Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[173.99; 375.42]	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			2.77000e+01
Coefficient B			6.12940e-01
Coefficient C			-2.88720e-04
Coefficient D			2.35000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	173.99	J/mol×K	273.00	Calculated Property
Cp,gas	209.45	J/mol×K	353.78	Calculated Property
Cp,gas	241.46	J/mol×K	434.56	Calculated Property
Cp,gas	270.11	J/mol×K	515.33	Calculated Property
Cp,gas	295.46	J/mol×K	596.11	Calculated Property
Cp,gas	317.60	J/mol×K	676.89	Calculated Property
Cp,gas	336.58	J/mol×K	757.67	Calculated Property
Cp,gas	352.50	J/mol×K	838.44	Calculated Property
Cp,gas	365.42	J/mol×K	919.22	Calculated Property
Cp,gas	375.42	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017776; 0.0002109]	Pa×s	[314.90; 530.91]	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			-1.15717e+01
Coefficient B			1.64982e+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.			314.90
Temperature range, max.			530.91
η	0.0017776	Pa×s	314.90	Calculated Property
η	0.0012265	Pa×s	338.90	Calculated Property
η	0.0008889	Pa×s	362.90	Calculated Property
η	0.0006705	Pa×s	386.90	Calculated Property
η	0.0005226	Pa×s	410.91	Calculated Property
η	0.0004188	Pa×s	434.91	Calculated Property
η	0.0003434	Pa×s	458.91	Calculated Property
η	0.0002872	Pa×s	482.91	Calculated Property
η	0.0002443	Pa×s	506.91	Calculated Property
η	0.0002109	Pa×s	530.91	Calculated Property

Similar Compounds

Find more compounds similar to Methyl 4-chloro-3-methylbenzoate.

Sources

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

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