Chemical Properties of 3-Cyclopentylpropionic acid, 4-benzyloxyphenyl ester

InChI

InChI=1S/C21H24O3/c22-21(15-10-17-6-4-5-7-17)24-20-13-11-19(12-14-20)23-16-18-8-2-1-3-9-18/h1-3,8-9,11-14,17H,4-7,10,15-16H2

InChI Key

ONWJVOOXLVMNID-UHFFFAOYSA-N

Formula

C21H24O3

SMILES

O=C(CCC1CCCC1)Oc1ccc(OCc2ccccc2)cc1

Molecular Weight¹

324.42

• 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

Property	Value	Unit	Source
ΔfusH°	37.33	kJ/mol	Joback Calculated Property
IE	8.11	eV	Relay (1.0) Calculated Property
logPoct/wat	5.141		Crippen Calculated Property
McVol	261.680	ml/mol	McGowan Calculated Property
Inp	[2684.00; 2684.00]
Inp	2684.00		NIST
Inp	2684.00		NIST
Tboil	687.91	K	Relay (1.0) Calculated Property
Tfus	322.39	K	Relay (1.0) Calculated Property

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[809.25; 891.37]	J/mol×K	[834.34; 1069.75]
Cp,gas	809.25	J/mol×K	834.34	Joback Calculated Property
Cp,gas	826.80	J/mol×K	873.57	Joback Calculated Property
Cp,gas	842.71	J/mol×K	912.81	Joback Calculated Property
Cp,gas	857.05	J/mol×K	952.04	Joback Calculated Property
Cp,gas	869.89	J/mol×K	991.28	Joback Calculated Property
Cp,gas	881.31	J/mol×K	1030.51	Joback Calculated Property
Cp,gas	891.37	J/mol×K	1069.75	Joback Calculated Property
η	[0.0000661; 0.0008608]	Pa×s	[467.25; 834.34]
η	0.0008608	Pa×s	467.25	Joback Calculated Property
η	0.0004381	Pa×s	528.43	Joback Calculated Property
η	0.0002565	Pa×s	589.61	Joback Calculated Property
η	0.0001661	Pa×s	650.79	Joback Calculated Property
η	0.0001159	Pa×s	711.98	Joback Calculated Property
η	0.0000856	Pa×s	773.16	Joback Calculated Property
η	0.0000661	Pa×s	834.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Cyclopentylpropionic 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.
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