Chemical Properties of 2-Methoxybenzoic acid, isopropyl ester

InChI

InChI=1S/C11H14O3/c1-8(2)14-11(12)9-6-4-5-7-10(9)13-3/h4-8H,1-3H3

InChI Key

WHVIVRXGERGYGC-UHFFFAOYSA-N

Formula

C11H14O3

SMILES

COc1ccccc1C(=O)OC(C)C

Molecular Weight¹

194.23

Other Names

• Benzoic acid, 2-methoxy-, isopropyl ester
• Isopropyl 2-methoxybenzoate

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[215.55; 492.41]	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			2.25100e+01
Coefficient B			7.98360e-01
Coefficient C			-3.36360e-04
Coefficient D			7.90000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	215.55	J/mol×K	273.00	Calculated Property
Cp,gas	263.20	J/mol×K	353.78	Calculated Property
Cp,gas	306.57	J/mol×K	434.56	Calculated Property
Cp,gas	345.69	J/mol×K	515.33	Calculated Property
Cp,gas	380.57	J/mol×K	596.11	Calculated Property
Cp,gas	411.25	J/mol×K	676.89	Calculated Property
Cp,gas	437.75	J/mol×K	757.67	Calculated Property
Cp,gas	460.09	J/mol×K	838.44	Calculated Property
Cp,gas	478.30	J/mol×K	919.22	Calculated Property
Cp,gas	492.41	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0024171; 0.0001554]	Pa×s	[302.23; 541.26]	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			-1.22390e+01
Coefficient B			1.87799e+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.			302.23
Temperature range, max.			541.26
η	0.0024171	Pa×s	302.23	Calculated Property
η	0.0014632	Pa×s	328.79	Calculated Property
η	0.0009548	Pa×s	355.35	Calculated Property
η	0.0006611	Pa×s	381.91	Calculated Property
η	0.0004802	Pa×s	408.46	Calculated Property
η	0.0003627	Pa×s	435.02	Calculated Property
η	0.0002829	Pa×s	461.58	Calculated Property
η	0.0002267	Pa×s	488.14	Calculated Property
η	0.0001859	Pa×s	514.70	Calculated Property
η	0.0001554	Pa×s	541.26	Calculated Property

Similar Compounds

Find more compounds similar to 2-Methoxybenzoic acid, isopropyl ester.

Sources

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

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