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

InChI

InChI=1S/C20H22O2/c21-20(15-10-16-6-4-5-7-16)22-19-13-11-18(12-14-19)17-8-2-1-3-9-17/h1-3,8-9,11-14,16H,4-7,10,15H2

InChI Key

GKUMHCCEVFDSME-UHFFFAOYSA-N

Formula

C20H22O2

SMILES

O=C(CCC1CCCC1)Oc1ccc(-c2ccccc2)cc1

Molecular Weight¹

294.39

• 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).
• 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°	33.55	kJ/mol	Joback Calculated Property
logPoct/wat	5.229		Crippen Calculated Property
McVol	241.720	ml/mol	McGowan Calculated Property
Inp	[2640.00; 2640.00]
Inp	2640.00		NIST
Inp	2640.00		NIST
Tboil	679.70	K	Relay (1.0) Calculated Property
Tfus	347.76	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, Ionization energy, 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	[723.02; 811.04]	J/mol×K	[789.04; 1031.48]
Cp,gas	723.02	J/mol×K	789.04	Joback Calculated Property
Cp,gas	741.52	J/mol×K	829.45	Joback Calculated Property
Cp,gas	758.36	J/mol×K	869.85	Joback Calculated Property
Cp,gas	773.64	J/mol×K	910.26	Joback Calculated Property
Cp,gas	787.45	J/mol×K	950.67	Joback Calculated Property
Cp,gas	799.89	J/mol×K	991.07	Joback Calculated Property
Cp,gas	811.04	J/mol×K	1031.48	Joback Calculated Property
η	[0.0000987; 0.0013365]	Pa×s	[433.75; 789.04]
η	0.0013365	Pa×s	433.75	Joback Calculated Property
η	0.0006670	Pa×s	492.96	Joback Calculated Property
η	0.0003864	Pa×s	552.18	Joback Calculated Property
η	0.0002488	Pa×s	611.39	Joback Calculated Property
η	0.0001731	Pa×s	670.61	Joback Calculated Property
η	0.0001278	Pa×s	729.83	Joback Calculated Property
η	0.0000987	Pa×s	789.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Cyclopentylpropionic acid, 4-biphenyl 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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