Chemical Properties of Methyl 3-chloro-4-methoxybenzoate (CAS 37908-98-8)

InChI

InChI=1S/C9H9ClO3/c1-12-8-4-3-6(5-7(8)10)9(11)13-2/h3-5H,1-2H3

InChI Key

PINQDVFQCCFACD-UHFFFAOYSA-N

Formula

C9H9ClO3

SMILES

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

Molecular Weight¹

200.62

CAS

37908-98-8

Other Names

• 3-Cl-4-CH3O-C6H3-COOCH3
• Benzoic acid, 3-chloro-4-methoxy-, methyl ester
• methyl 3-chloro-p-anisate

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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	[189.40; 393.92]	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			5.32000e+01
Coefficient B			5.49740e-01
Coefficient C			-1.77720e-04
Coefficient D			-3.13000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	189.40	J/mol×K	273.00	Calculated Property
Cp,gas	224.06	J/mol×K	353.78	Calculated Property
Cp,gas	255.96	J/mol×K	434.56	Calculated Property
Cp,gas	285.02	J/mol×K	515.33	Calculated Property
Cp,gas	311.12	J/mol×K	596.11	Calculated Property
Cp,gas	334.18	J/mol×K	676.89	Calculated Property
Cp,gas	354.08	J/mol×K	757.67	Calculated Property
Cp,gas	370.74	J/mol×K	838.44	Calculated Property
Cp,gas	384.05	J/mol×K	919.22	Calculated Property
Cp,gas	393.92	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013351; 0.0001801]	Pa×s	[337.13; 544.79]	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			-1.18746e+01
Coefficient B			1.77191e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			337.13
Temperature range, max.			544.79
η	0.0013351	Pa×s	337.13	Calculated Property
η	0.0009535	Pa×s	360.20	Calculated Property
η	0.0007091	Pa×s	383.28	Calculated Property
η	0.0005454	Pa×s	406.35	Calculated Property
η	0.0004315	Pa×s	429.42	Calculated Property
η	0.0003496	Pa×s	452.50	Calculated Property
η	0.0002891	Pa×s	475.57	Calculated Property
η	0.0002433	Pa×s	498.64	Calculated Property
η	0.0002079	Pa×s	521.72	Calculated Property
η	0.0001801	Pa×s	544.79	Calculated Property

Similar Compounds

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

Sources

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

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