Chemical Properties of Succinic acid, 2-fluorophenyl 4-biphenyl ester

InChI

InChI=1S/C22H17FO4/c23-19-8-4-5-9-20(19)27-22(25)15-14-21(24)26-18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-13H,14-15H2

InChI Key

ZORJSRRIXHMJFC-UHFFFAOYSA-N

Formula

C22H17FO4

SMILES

O=C(CCC(=O)Oc1ccccc1F)Oc1ccc(-c2ccccc2)cc1

Molecular Weight¹

364.37

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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°	45.90	kJ/mol	Joback Calculated Property
IE	8.12	eV	Relay (1.0) Calculated Property
logPoct/wat	4.784		Crippen Calculated Property
McVol	266.210	ml/mol	McGowan Calculated Property
Inp	[3089.00; 3089.00]
Inp	3089.00		NIST
Inp	3089.00		NIST
Tboil	698.10	K	Relay (1.0) Calculated Property
Tfus	395.74	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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	[346.39; 815.96]	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			-3.33180e+01
Coefficient B			1.64030e+00
Coefficient C			-9.59720e-04
Coefficient D			1.68700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	346.39	J/mol×K	273.00	Calculated Property
Cp,gas	434.34	J/mol×K	353.78	Calculated Property
Cp,gas	512.10	J/mol×K	434.56	Calculated Property
Cp,gas	580.20	J/mol×K	515.33	Calculated Property
Cp,gas	639.18	J/mol×K	596.11	Calculated Property
Cp,gas	689.58	J/mol×K	676.89	Calculated Property
Cp,gas	731.92	J/mol×K	757.67	Calculated Property
Cp,gas	766.74	J/mol×K	838.44	Calculated Property
Cp,gas	794.58	J/mol×K	919.22	Calculated Property
Cp,gas	815.96	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-fluorophenyl 4-biphenyl 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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