Chemical Properties of Glutaric acid, di(2-(4-fluorophenyl)ethyl) ester

InChI

InChI=1S/C21H22F2O4/c22-18-8-4-16(5-9-18)12-14-26-20(24)2-1-3-21(25)27-15-13-17-6-10-19(23)11-7-17/h4-11H,1-3,12-15H2

InChI Key

UPWSVNZEVYBERG-UHFFFAOYSA-N

Formula

C21H22F2O4

SMILES

O=C(CCCC(=O)OCCc1ccc(F)cc1)OCCc1ccc(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).
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	52.35	kJ/mol	Joback Calculated Property
ΔvapH°	121.53	kJ/mol	Relay (1.0) Calculated Property
IE	8.58	eV	Relay (1.0) Calculated Property
logPoct/wat	4.007		Crippen Calculated Property
McVol	277.650	ml/mol	McGowan Calculated Property
Inp	[2718.00; 2718.00]
Inp	2718.00		NIST
Inp	2718.00		NIST
Tboil	683.91	K	Relay (1.0) Calculated Property
Tfus	322.41	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[842.33; 905.53]	J/mol×K	[858.38; 1066.41]
Cp,gas	842.33	J/mol×K	858.38	Joback Calculated Property
Cp,gas	855.90	J/mol×K	893.05	Joback Calculated Property
Cp,gas	868.21	J/mol×K	927.72	Joback Calculated Property
Cp,gas	879.29	J/mol×K	962.39	Joback Calculated Property
Cp,gas	889.18	J/mol×K	997.07	Joback Calculated Property
Cp,gas	897.92	J/mol×K	1031.74	Joback Calculated Property
Cp,gas	905.53	J/mol×K	1066.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, di(2-(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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