Chemical Properties of Succinic acid, 2-fluorophenyl 3-hexyl ester

InChI

InChI=1S/C16H21FO4/c1-3-7-12(4-2)20-15(18)10-11-16(19)21-14-9-6-5-8-13(14)17/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3

InChI Key

WZELXFBSKAYLJI-UHFFFAOYSA-N

Formula

C16H21FO4

SMILES

CCCC(CC)OC(=O)CCC(=O)Oc1ccccc1F

Molecular Weight¹

296.33

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	39.14	kJ/mol	Joback Calculated Property
logPoct/wat	3.633		Crippen Calculated Property
McVol	229.190	ml/mol	McGowan Calculated Property
Inp	[1946.00; 1946.00]
Inp	1946.00		NIST
Inp	1946.00		NIST
Tboil	578.42	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, 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	[330.75; 747.04]	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			2.39650e+01
Coefficient B			1.29354e+00
Coefficient C			-6.41160e-04
Coefficient D			7.07000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	330.75	J/mol×K	273.00	Calculated Property
Cp,gas	404.47	J/mol×K	353.78	Calculated Property
Cp,gas	470.81	J/mol×K	434.56	Calculated Property
Cp,gas	529.97	J/mol×K	515.33	Calculated Property
Cp,gas	582.20	J/mol×K	596.11	Calculated Property
Cp,gas	627.71	J/mol×K	676.89	Calculated Property
Cp,gas	666.72	J/mol×K	757.67	Calculated Property
Cp,gas	699.47	J/mol×K	838.44	Calculated Property
Cp,gas	726.17	J/mol×K	919.22	Calculated Property
Cp,gas	747.04	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-fluorophenyl 3-hexyl 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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