Chemical Properties of Phthalic acid, di(4-fluorobenzyl) ester

InChI

InChI=1S/C22H16F2O4/c23-17-9-5-15(6-10-17)13-27-21(25)19-3-1-2-4-20(19)22(26)28-14-16-7-11-18(24)12-8-16/h1-12H,13-14H2

InChI Key

LUFIBCXJLIJZMJ-UHFFFAOYSA-N

Formula

C22H16F2O4

SMILES

O=C(OCc1ccc(F)cc1)c1ccccc1C(=O)OCc1ccc(F)cc1

Molecular Weight¹

382.36

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• 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
ΔfH°gas	-743.05	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	48.59	kJ/mol	Joback Calculated Property
ΔvapH°	118.77	kJ/mol	Relay (1.0) Calculated Property
IE	8.75	eV	Relay (1.0) Calculated Property
log10WS	-5.91		Relay (1.0) Calculated Property
logPoct/wat	4.679		Crippen Calculated Property
McVol	267.980	ml/mol	McGowan Calculated Property
Pc	1649.77	kPa	Joback Calculated Property
Inp	[3774.00; 3774.00]
Inp	3774.00		NIST
Inp	3774.00		NIST
Tboil	688.55	K	Relay (1.0) Calculated Property
Tfus	314.21	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[797.01; 843.14]	J/mol×K	[912.92; 1146.00]
Cp,gas	797.01	J/mol×K	912.92	Joback Calculated Property
Cp,gas	808.16	J/mol×K	951.77	Joback Calculated Property
Cp,gas	817.86	J/mol×K	990.61	Joback Calculated Property
Cp,gas	826.15	J/mol×K	1029.46	Joback Calculated Property
Cp,gas	833.10	J/mol×K	1068.31	Joback Calculated Property
Cp,gas	838.74	J/mol×K	1107.15	Joback Calculated Property
Cp,gas	843.14	J/mol×K	1146.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, di(4-fluorobenzyl) ester.

Sources

• Cheméo Relay (1.0)
• 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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