Chemical Properties of Succinic acid, 2-fluorophenyl phenethyl ester

InChI

InChI=1S/C18H17FO4/c19-15-8-4-5-9-16(15)23-18(21)11-10-17(20)22-13-12-14-6-2-1-3-7-14/h1-9H,10-13H2

InChI Key

AJYXIFHXZXBTHB-UHFFFAOYSA-N

Formula

C18H17FO4

SMILES

O=C(CCC(=O)Oc1ccccc1F)OCCc1ccccc1

Molecular Weight¹

316.32

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	41.89	kJ/mol	Joback Calculated Property
ΔvapH°	106.21	kJ/mol	Relay (1.0) Calculated Property
IE	8.45	eV	Relay (1.0) Calculated Property
logPoct/wat	3.297		Crippen Calculated Property
McVol	233.610	ml/mol	McGowan Calculated Property
Inp	[2386.00; 2386.00]
Inp	2386.00		NIST
Inp	2386.00		NIST
Tboil	634.72	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, 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	[316.24; 731.16]	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			-1.00760e+01
Coefficient B			1.39870e+00
Coefficient C			-7.77960e-04
Coefficient D			1.20500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	316.24	J/mol×K	273.00	Calculated Property
Cp,gas	392.72	J/mol×K	353.78	Calculated Property
Cp,gas	460.72	J/mol×K	434.56	Calculated Property
Cp,gas	520.61	J/mol×K	515.33	Calculated Property
Cp,gas	572.78	J/mol×K	596.11	Calculated Property
Cp,gas	617.62	J/mol×K	676.89	Calculated Property
Cp,gas	655.49	J/mol×K	757.67	Calculated Property
Cp,gas	686.78	J/mol×K	838.44	Calculated Property
Cp,gas	711.88	J/mol×K	919.22	Calculated Property
Cp,gas	731.16	J/mol×K	1000.00	Calculated Property

Similar Compounds

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