Chemical Properties of Succinic acid, di(2-fluorophenyl) ester

InChI

InChI=1S/C16H12F2O4/c17-11-5-1-3-7-13(11)21-15(19)9-10-16(20)22-14-8-4-2-6-12(14)18/h1-8H,9-10H2

InChI Key

JKIWOHUESYRIIG-UHFFFAOYSA-N

Formula

C16H12F2O4

SMILES

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

Molecular Weight¹

306.26

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	39.40	kJ/mol	Joback Calculated Property
ΔvapH°	97.84	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.256		Crippen Calculated Property
McVol	207.200	ml/mol	McGowan Calculated Property
Inp	[2133.00; 2133.00]
Inp	2133.00		NIST
Inp	2133.00		NIST
Tboil	602.04	K	Relay (1.0) Calculated Property
Tfus	367.78	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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	[284.56; 632.01]	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			1.21320e+01
Coefficient B			1.16100e+00
Coefficient C			-6.18520e-04
Coefficient D			7.74000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	284.56	J/mol×K	273.00	Calculated Property
Cp,gas	348.88	J/mol×K	353.78	Calculated Property
Cp,gas	406.20	J/mol×K	434.56	Calculated Property
Cp,gas	456.77	J/mol×K	515.33	Calculated Property
Cp,gas	500.82	J/mol×K	596.11	Calculated Property
Cp,gas	538.61	J/mol×K	676.89	Calculated Property
Cp,gas	570.38	J/mol×K	757.67	Calculated Property
Cp,gas	596.37	J/mol×K	838.44	Calculated Property
Cp,gas	616.84	J/mol×K	919.22	Calculated Property
Cp,gas	632.01	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, di(2-fluorophenyl) 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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