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

InChI

InChI=1S/C19H27FO4/c1-3-5-6-10-15(4-2)23-18(21)13-9-14-19(22)24-17-12-8-7-11-16(17)20/h7-8,11-12,15H,3-6,9-10,13-14H2,1-2H3

InChI Key

QBEBTPCFVVVQMX-UHFFFAOYSA-N

Formula

C19H27FO4

SMILES

CCCCCC(CC)OC(=O)CCCC(=O)Oc1ccccc1F

Molecular Weight¹

338.42

• 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°	46.91	kJ/mol	Joback Calculated Property
logPoct/wat	4.803		Crippen Calculated Property
McVol	271.460	ml/mol	McGowan Calculated Property
Inp	[2199.00; 2199.00]
Inp	2199.00		NIST
Inp	2199.00		NIST
Tboil	613.40	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	[394.40; 901.82]	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			2.12380e+01
Coefficient B			1.57854e+00
Coefficient C			-8.04360e-04
Coefficient D			1.06400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	394.40	J/mol×K	273.00	Calculated Property
Cp,gas	483.73	J/mol×K	353.78	Calculated Property
Cp,gas	564.04	J/mol×K	434.56	Calculated Property
Cp,gas	635.66	J/mol×K	515.33	Calculated Property
Cp,gas	698.93	J/mol×K	596.11	Calculated Property
Cp,gas	754.19	J/mol×K	676.89	Calculated Property
Cp,gas	801.77	J/mol×K	757.67	Calculated Property
Cp,gas	842.01	J/mol×K	838.44	Calculated Property
Cp,gas	875.25	J/mol×K	919.22	Calculated Property
Cp,gas	901.82	J/mol×K	1000.00	Calculated Property

Similar Compounds

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