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

InChI

InChI=1S/C14H17ClO2/c15-12-6-8-13(9-7-12)17-14(16)10-5-11-3-1-2-4-11/h6-9,11H,1-5,10H2

InChI Key

XVFXNEMYRISWTL-UHFFFAOYSA-N

Formula

C14H17ClO2

SMILES

O=C(CCC1CCCC1)Oc1ccc(Cl)cc1

Molecular Weight¹

252.74

• 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

Property	Value	Unit	Source
ΔfusH°	28.17	kJ/mol	Joback Calculated Property
IE	8.41	eV	Relay (1.0) Calculated Property
logPoct/wat	4.216		Crippen Calculated Property
McVol	193.180	ml/mol	McGowan Calculated Property
Inp	[1887.00; 1887.00]
Inp	1887.00		NIST
Inp	1887.00		NIST
Tboil	602.32	K	Relay (1.0) Calculated Property

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[507.20; 593.15]	J/mol×K	[662.51; 892.21]
Cp,gas	507.20	J/mol×K	662.51	Joback Calculated Property
Cp,gas	524.62	J/mol×K	700.79	Joback Calculated Property
Cp,gas	540.74	J/mol×K	739.08	Joback Calculated Property
Cp,gas	555.60	J/mol×K	777.36	Joback Calculated Property
Cp,gas	569.26	J/mol×K	815.64	Joback Calculated Property
Cp,gas	581.76	J/mol×K	853.93	Joback Calculated Property
Cp,gas	593.15	J/mol×K	892.21	Joback Calculated Property
η	[0.0001789; 0.0021595]	Pa×s	[369.63; 662.51]
η	0.0021595	Pa×s	369.63	Joback Calculated Property
η	0.0011191	Pa×s	418.44	Joback Calculated Property
η	0.0006654	Pa×s	467.26	Joback Calculated Property
η	0.0004365	Pa×s	516.07	Joback Calculated Property
η	0.0003080	Pa×s	564.88	Joback Calculated Property
η	0.0002297	Pa×s	613.70	Joback Calculated Property
η	0.0001789	Pa×s	662.51	Joback Calculated Property

Similar Compounds

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