Chemical Properties of Succinic acid, 2-fluorophenyl cyclopentyl ester

InChI

InChI=1S/C15H17FO4/c16-12-7-3-4-8-13(12)20-15(18)10-9-14(17)19-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10H2

InChI Key

FSWMHJTYSAIZKC-UHFFFAOYSA-N

Formula

C15H17FO4

SMILES

O=C(CCC(=O)OC1CCCC1)Oc1ccccc1F

Molecular Weight¹

280.29

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

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-872.13	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.01	kJ/mol	Joback Calculated Property
ΔvapH°	90.85	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.997		Crippen Calculated Property
McVol	204.240	ml/mol	McGowan Calculated Property
Inp	[2054.00; 2054.00]
Inp	2054.00		NIST
Inp	2054.00		NIST
Tfus	308.71	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[276.63; 678.21]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.39280e+01
Coefficient B			1.32430e+00
Coefficient C			-7.10960e-04
Coefficient D			9.88000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	276.63	J/mol×K	273.00	Calculated Property
Cp,gas	349.97	J/mol×K	353.78	Calculated Property
Cp,gas	415.40	J/mol×K	434.56	Calculated Property
Cp,gas	473.24	J/mol×K	515.33	Calculated Property
Cp,gas	523.79	J/mol×K	596.11	Calculated Property
Cp,gas	567.37	J/mol×K	676.89	Calculated Property
Cp,gas	604.29	J/mol×K	757.67	Calculated Property
Cp,gas	634.86	J/mol×K	838.44	Calculated Property
Cp,gas	659.40	J/mol×K	919.22	Calculated Property
Cp,gas	678.21	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-fluorophenyl cyclopentyl 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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