Chemical Properties of Glutaric acid, di(1-(4-fluorophenyl)ethyl) ester

InChI

InChI=1S/C21H22F2O4/c1-14(16-6-10-18(22)11-7-16)26-20(24)4-3-5-21(25)27-15(2)17-8-12-19(23)13-9-17/h6-15H,3-5H2,1-2H3

InChI Key

SBTQXPADMVIDSR-UHFFFAOYSA-N

Formula

C21H22F2O4

SMILES

CC(OC(=O)CCCC(=O)OC(C)c1ccc(F)cc1)c1ccc(F)cc1

Molecular Weight¹

376.39

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	45.30	kJ/mol	Joback Calculated Property
IE	8.74	eV	Relay (1.0) Calculated Property
logPoct/wat	5.044		Crippen Calculated Property
McVol	277.650	ml/mol	McGowan Calculated Property
Inp	[2489.00; 2489.00]
Inp	2489.00		NIST
Inp	2489.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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, 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	[390.00; 891.04]	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			4.22300e+00
Coefficient B			1.64784e+00
Coefficient C			-8.96920e-04
Coefficient D			1.35900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	390.00	J/mol×K	273.00	Calculated Property
Cp,gas	480.95	J/mol×K	353.78	Calculated Property
Cp,gas	562.08	J/mol×K	434.56	Calculated Property
Cp,gas	633.81	J/mol×K	515.33	Calculated Property
Cp,gas	696.59	J/mol×K	596.11	Calculated Property
Cp,gas	750.83	J/mol×K	676.89	Calculated Property
Cp,gas	796.96	J/mol×K	757.67	Calculated Property
Cp,gas	835.42	J/mol×K	838.44	Calculated Property
Cp,gas	866.64	J/mol×K	919.22	Calculated Property
Cp,gas	891.04	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, di(1-(4-fluorophenyl)ethyl) 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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