Chemical Properties of 3-(4-cyclohexyl-methyl-oxy-phenyl)-propionic acid, methyl ester

InChI

InChI=1S/C17H24O3/c1-19-17(18)12-9-14-7-10-16(11-8-14)20-13-15-5-3-2-4-6-15/h7-8,10-11,15H,2-6,9,12-13H2,1H3

InChI Key

LJASMOYSLUNUSB-UHFFFAOYSA-N

Formula

C17H24O3

SMILES

COC(=O)CCc1ccc(OCC2CCCCC2)cc1

Molecular Weight¹

276.37

• 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).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[305.03; 786.49]	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			-4.68670e+01
Coefficient B			1.48452e+00
Coefficient C			-7.40560e-04
Coefficient D			8.94000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	305.03	J/mol×K	273.00	Calculated Property
Cp,gas	389.59	J/mol×K	353.78	Calculated Property
Cp,gas	465.73	J/mol×K	434.56	Calculated Property
Cp,gas	533.72	J/mol×K	515.33	Calculated Property
Cp,gas	593.85	J/mol×K	596.11	Calculated Property
Cp,gas	646.41	J/mol×K	676.89	Calculated Property
Cp,gas	691.66	J/mol×K	757.67	Calculated Property
Cp,gas	729.91	J/mol×K	838.44	Calculated Property
Cp,gas	761.42	J/mol×K	919.22	Calculated Property
Cp,gas	786.49	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014700; 0.0001090]	Pa×s	[392.23; 657.49]	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			-1.29712e+01
Coefficient B			2.52940e+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.			392.23
Temperature range, max.			657.49
η	0.0014700	Pa×s	392.23	Calculated Property
η	0.0009367	Pa×s	421.70	Calculated Property
η	0.0006330	Pa×s	451.18	Calculated Property
η	0.0004489	Pa×s	480.65	Calculated Property
η	0.0003312	Pa×s	510.12	Calculated Property
η	0.0002526	Pa×s	539.60	Calculated Property
η	0.0001982	Pa×s	569.07	Calculated Property
η	0.0001592	Pa×s	598.54	Calculated Property
η	0.0001306	Pa×s	628.02	Calculated Property
η	0.0001090	Pa×s	657.49	Calculated Property

Similar Compounds

Find more compounds similar to 3-(4-cyclohexyl-methyl-oxy-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

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