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

InChI

InChI=1S/C17H23FO4/c1-3-5-8-13(4-2)21-16(19)11-12-17(20)22-15-10-7-6-9-14(15)18/h6-7,9-10,13H,3-5,8,11-12H2,1-2H3

InChI Key

IMELBKOOWRKMDW-UHFFFAOYSA-N

Formula

C17H23FO4

SMILES

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

Molecular Weight¹

310.36

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	41.73	kJ/mol	Joback Calculated Property
logPoct/wat	4.023		Crippen Calculated Property
McVol	243.280	ml/mol	McGowan Calculated Property
Inp	[2014.00; 2014.00]
Inp	2014.00		NIST
Inp	2014.00		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, 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	[351.97; 798.64]	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			2.30560e+01
Coefficient B			1.38854e+00
Coefficient C			-6.95560e-04
Coefficient D			8.26000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	351.97	J/mol×K	273.00	Calculated Property
Cp,gas	430.89	J/mol×K	353.78	Calculated Property
Cp,gas	501.88	J/mol×K	434.56	Calculated Property
Cp,gas	565.20	J/mol×K	515.33	Calculated Property
Cp,gas	621.11	J/mol×K	596.11	Calculated Property
Cp,gas	669.87	J/mol×K	676.89	Calculated Property
Cp,gas	711.74	J/mol×K	757.67	Calculated Property
Cp,gas	746.98	J/mol×K	838.44	Calculated Property
Cp,gas	775.86	J/mol×K	919.22	Calculated Property
Cp,gas	798.64	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-fluorophenyl 3-heptyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.