Chemical Properties of (4-Isopropoxy-phenyl)-acetic acid, methyl ester

InChI

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

InChI Key

IXIIOTCCONXDNO-UHFFFAOYSA-N

Formula

C12H16O3

SMILES

COC(=O)Cc1ccc(OC(C)C)cc1

Molecular Weight¹

208.25

• 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).
• 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).
• 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 Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
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 (4-Isopropoxy-phenyl)-acetic acid, methyl ester.

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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