Chemical Properties of Glutaric acid, 2-fluorophenyl 3-ethylphenyl ester

InChI

InChI=1S/C19H19FO4/c1-2-14-7-5-8-15(13-14)23-18(21)11-6-12-19(22)24-17-10-4-3-9-16(17)20/h3-5,7-10,13H,2,6,11-12H2,1H3

InChI Key

LUUSOVPSYUURSD-UHFFFAOYSA-N

Formula

C19H19FO4

SMILES

CCc1cccc(OC(=O)CCCC(=O)Oc2ccccc2F)c1

Molecular Weight¹

330.35

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	44.09	kJ/mol	Joback Calculated Property
logPoct/wat	4.069		Crippen Calculated Property
McVol	247.700	ml/mol	McGowan Calculated Property
Inp	[2457.00; 2457.00]
Inp	2457.00		NIST
Inp	2457.00		NIST
Tboil	640.49	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, 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	[340.00; 779.71]	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			3.31400e+00
Coefficient B			1.43422e+00
Coefficient C			-7.65320e-04
Coefficient D			1.07500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	340.00	J/mol×K	273.00	Calculated Property
Cp,gas	419.68	J/mol×K	353.78	Calculated Property
Cp,gas	490.86	J/mol×K	434.56	Calculated Property
Cp,gas	553.88	J/mol×K	515.33	Calculated Property
Cp,gas	609.08	J/mol×K	596.11	Calculated Property
Cp,gas	656.81	J/mol×K	676.89	Calculated Property
Cp,gas	697.39	J/mol×K	757.67	Calculated Property
Cp,gas	731.18	J/mol×K	838.44	Calculated Property
Cp,gas	758.51	J/mol×K	919.22	Calculated Property
Cp,gas	779.71	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-fluorophenyl 3-ethylphenyl 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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