Chemical Properties of Cyclopentanecarboxylic acid, 4-benzyloxyphenyl ester

InChI

InChI=1S/C19H20O3/c20-19(16-8-4-5-9-16)22-18-12-10-17(11-13-18)21-14-15-6-2-1-3-7-15/h1-3,6-7,10-13,16H,4-5,8-9,14H2

InChI Key

BKFLQPZYCSQANV-UHFFFAOYSA-N

Formula

C19H20O3

SMILES

O=C(Oc1ccc(OCc2ccccc2)cc1)C1CCCC1

Molecular Weight¹

296.36

• 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).
• 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, 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	[295.10; 769.37]	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			-7.74690e+01
Coefficient B			1.60520e+00
Coefficient C			-9.26960e-04
Coefficient D			1.68600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	295.10	J/mol×K	273.00	Calculated Property
Cp,gas	381.86	J/mol×K	353.78	Calculated Property
Cp,gas	458.87	J/mol×K	434.56	Calculated Property
Cp,gas	526.65	J/mol×K	515.33	Calculated Property
Cp,gas	585.73	J/mol×K	596.11	Calculated Property
Cp,gas	636.65	J/mol×K	676.89	Calculated Property
Cp,gas	679.94	J/mol×K	757.67	Calculated Property
Cp,gas	716.14	J/mol×K	838.44	Calculated Property
Cp,gas	745.77	J/mol×K	919.22	Calculated Property
Cp,gas	769.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010304; 0.0001148]	Pa×s	[444.71; 722.52]	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			-1.25844e+01
Coefficient B			2.53777e+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.			444.71
Temperature range, max.			722.52
η	0.0010304	Pa×s	444.71	Calculated Property
η	0.0007114	Pa×s	475.58	Calculated Property
η	0.0005139	Pa×s	506.45	Calculated Property
η	0.0003854	Pa×s	537.31	Calculated Property
η	0.0002981	Pa×s	568.18	Calculated Property
η	0.0002369	Pa×s	599.05	Calculated Property
η	0.0001924	Pa×s	629.92	Calculated Property
η	0.0001594	Pa×s	660.79	Calculated Property
η	0.0001343	Pa×s	691.65	Calculated Property
η	0.0001148	Pa×s	722.52	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopentanecarboxylic acid, 4-benzyloxyphenyl 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.