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

InChI

InChI=1S/C14H17NO4/c16-14(10-5-11-3-1-2-4-11)19-13-8-6-12(7-9-13)15(17)18/h6-9,11H,1-5,10H2

InChI Key

CFYBMLAAOGKARE-UHFFFAOYSA-N

Formula

C14H17NO4

SMILES

O=C(CCC1CCCC1)Oc1ccc([N+](=O)[O-])cc1

Molecular Weight¹

263.29

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	35.33	kJ/mol	Joback Calculated Property
IE	9.06	eV	Relay (1.0) Calculated Property
logPoct/wat	3.471		Crippen Calculated Property
McVol	198.360	ml/mol	McGowan Calculated Property
Inp	[2132.00; 2132.00]
Inp	2132.00		NIST
Inp	2132.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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	[590.00; 662.53]	J/mol×K	[776.92; 1022.88]
Cp,gas	590.00	J/mol×K	776.92	Joback Calculated Property
Cp,gas	605.44	J/mol×K	817.91	Joback Calculated Property
Cp,gas	619.46	J/mol×K	858.91	Joback Calculated Property
Cp,gas	632.10	J/mol×K	899.90	Joback Calculated Property
Cp,gas	643.46	J/mol×K	940.89	Joback Calculated Property
Cp,gas	653.58	J/mol×K	981.89	Joback Calculated Property
Cp,gas	662.53	J/mol×K	1022.88	Joback Calculated Property

Similar Compounds

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