Chemical Properties of Succinic acid, 2-fluorophenyl 2-methoxyethyl ester

InChI

InChI=1S/C13H15FO5/c1-17-8-9-18-12(15)6-7-13(16)19-11-5-3-2-4-10(11)14/h2-5H,6-9H2,1H3

InChI Key

GISZEGIAWRWBAZ-UHFFFAOYSA-N

Formula

C13H15FO5

SMILES

COCCOC(=O)CCC(=O)Oc1ccccc1F

Molecular Weight¹

270.25

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	36.08	kJ/mol	Joback Calculated Property
ΔvapH°	86.32	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	1.701		Crippen Calculated Property
McVol	192.790	ml/mol	McGowan Calculated Property
Inp	[1873.00; 1873.00]
Inp	1873.00		NIST
Inp	1873.00		NIST
Tboil	574.68	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, 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	[282.83; 610.23]	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			5.38740e+01
Coefficient B			9.39420e-01
Coefficient C			-3.63760e-04
Coefficient D			-1.93000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	282.83	J/mol×K	273.00	Calculated Property
Cp,gas	339.84	J/mol×K	353.78	Calculated Property
Cp,gas	391.83	J/mol×K	434.56	Calculated Property
Cp,gas	438.74	J/mol×K	515.33	Calculated Property
Cp,gas	480.52	J/mol×K	596.11	Calculated Property
Cp,gas	517.10	J/mol×K	676.89	Calculated Property
Cp,gas	548.43	J/mol×K	757.67	Calculated Property
Cp,gas	574.43	J/mol×K	838.44	Calculated Property
Cp,gas	595.05	J/mol×K	919.22	Calculated Property
Cp,gas	610.23	J/mol×K	1000.00	Calculated Property

Similar Compounds

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