Chemical Properties of 2-Methoxybenzoic acid, 2-methylpropyl ester (CAS 81763-24-8)

InChI

InChI=1S/C12H16O3/c1-9(2)8-15-12(13)10-6-4-5-7-11(10)14-3/h4-7,9H,8H2,1-3H3

InChI Key

ODCRXIIYCSXTLW-UHFFFAOYSA-N

Formula

C12H16O3

SMILES

COc1ccccc1C(=O)OCC(C)C

Molecular Weight¹

208.25

CAS

81763-24-8

Other Names

• Benzoic acid, 2-methoxy-, 2-methylpropyl ester
• Isobutyl 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, 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	[236.77; 544.00]	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			2.16010e+01
Coefficient B			8.93360e-01
Coefficient C			-3.90760e-04
Coefficient D			1.98000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	236.77	J/mol×K	273.00	Calculated Property
Cp,gas	289.62	J/mol×K	353.78	Calculated Property
Cp,gas	337.65	J/mol×K	434.56	Calculated Property
Cp,gas	380.92	J/mol×K	515.33	Calculated Property
Cp,gas	419.48	J/mol×K	596.11	Calculated Property
Cp,gas	453.41	J/mol×K	676.89	Calculated Property
Cp,gas	482.76	J/mol×K	757.67	Calculated Property
Cp,gas	507.60	J/mol×K	838.44	Calculated Property
Cp,gas	528.00	J/mol×K	919.22	Calculated Property
Cp,gas	544.00	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022940; 0.0001486]	Pa×s	[313.50; 554.95]	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			-1.23682e+01
Coefficient B			1.97215e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			313.50
Temperature range, max.			554.95
η	0.0022940	Pa×s	313.50	Calculated Property
η	0.0013971	Pa×s	340.33	Calculated Property
η	0.0009148	Pa×s	367.16	Calculated Property
η	0.0006346	Pa×s	393.98	Calculated Property
η	0.0004612	Pa×s	420.81	Calculated Property
η	0.0003483	Pa×s	447.64	Calculated Property
η	0.0002715	Pa×s	474.47	Calculated Property
η	0.0002173	Pa×s	501.30	Calculated Property
η	0.0001780	Pa×s	528.12	Calculated Property
η	0.0001486	Pa×s	554.95	Calculated Property

Similar Compounds

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

Sources

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

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