Chemical Properties of 2-(3-Chloro-4-benzyloxy-phenyl)-propionic acid, methyl ester

InChI

InChI=1S/C17H17ClO3/c1-12(17(19)20-2)14-8-9-16(15(18)10-14)21-11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3

InChI Key

BQLBOVHEXZBZFX-UHFFFAOYSA-N

Formula

C17H17ClO3

SMILES

COC(=O)C(C)c1ccc(OCc2ccccc2)c(Cl)c1

Molecular Weight¹

304.77

• 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).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[301.54; 688.66]	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			1.03410e+01
Coefficient B			1.23674e+00
Coefficient C			-6.47320e-04
Coefficient D			8.89000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	301.54	J/mol×K	273.00	Calculated Property
Cp,gas	370.79	J/mol×K	353.78	Calculated Property
Cp,gas	432.83	J/mol×K	434.56	Calculated Property
Cp,gas	487.93	J/mol×K	515.33	Calculated Property
Cp,gas	536.38	J/mol×K	596.11	Calculated Property
Cp,gas	578.46	J/mol×K	676.89	Calculated Property
Cp,gas	614.44	J/mol×K	757.67	Calculated Property
Cp,gas	644.62	J/mol×K	838.44	Calculated Property
Cp,gas	669.26	J/mol×K	919.22	Calculated Property
Cp,gas	688.66	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007864; 0.0000857]	Pa×s	[438.71; 701.33]	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			-1.30664e+01
Coefficient B			2.59643e+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.			438.71
Temperature range, max.			701.33
η	0.0007864	Pa×s	438.71	Calculated Property
η	0.0005437	Pa×s	467.89	Calculated Property
η	0.0003925	Pa×s	497.07	Calculated Property
η	0.0002938	Pa×s	526.25	Calculated Property
η	0.0002267	Pa×s	555.43	Calculated Property
η	0.0001795	Pa×s	584.61	Calculated Property
η	0.0001454	Pa×s	613.79	Calculated Property
η	0.0001200	Pa×s	642.97	Calculated Property
η	0.0001007	Pa×s	672.15	Calculated Property
η	0.0000857	Pa×s	701.33	Calculated Property

Similar Compounds

Find more compounds similar to 2-(3-Chloro-4-benzyloxy-phenyl)-propionic 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.