Chemical Properties of Cyclopentylsuccinic acid, methyl ester

InChI

InChI=1S/C11H18O4/c1-14-10(12)7-9(11(13)15-2)8-5-3-4-6-8/h8-9H,3-7H2,1-2H3

InChI Key

XTKLJYGBEOUDEA-UHFFFAOYSA-N

Formula

C11H18O4

SMILES

COC(=O)CC(C(=O)OC)C1CCCC1

Molecular Weight¹

214.26

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-800.10	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.40	kJ/mol	Joback Calculated Property
ΔvapH°	75.19	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	1.529		Crippen Calculated Property
McVol	169.870	ml/mol	McGowan Calculated Property
Inp	[1490.00; 1490.00]
Inp	1490.00		NIST
Inp	1490.00		NIST
Tboil	516.89	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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	[442.54; 529.87]	J/mol×K	[582.56; 783.45]
Cp,gas	442.54	J/mol×K	582.56	Joback Calculated Property
Cp,gas	459.50	J/mol×K	616.04	Joback Calculated Property
Cp,gas	475.48	J/mol×K	649.52	Joback Calculated Property
Cp,gas	490.50	J/mol×K	683.01	Joback Calculated Property
Cp,gas	504.56	J/mol×K	716.49	Joback Calculated Property
Cp,gas	517.68	J/mol×K	749.97	Joback Calculated Property
Cp,gas	529.87	J/mol×K	783.45	Joback Calculated Property
η	[0.0001847; 0.0060414]	Pa×s	[294.29; 582.56]
η	0.0060414	Pa×s	294.29	Joback Calculated Property
η	0.0022465	Pa×s	342.33	Joback Calculated Property
η	0.0010657	Pa×s	390.38	Joback Calculated Property
η	0.0005953	Pa×s	438.42	Joback Calculated Property
η	0.0003731	Pa×s	486.47	Joback Calculated Property
η	0.0002543	Pa×s	534.51	Joback Calculated Property
η	0.0001847	Pa×s	582.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclopentylsuccinic acid, methyl 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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