Chemical Properties of Terephthalic acid, di(2-fluorobenzyl) ester

InChI

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

InChI Key

NFIDKIOBLMZBHJ-UHFFFAOYSA-N

Formula

C22H16F2O4

SMILES

O=C(OCc1ccccc1F)c1ccc(C(=O)OCc2ccccc2F)cc1

Molecular Weight¹

382.36

• ω : Acentric Factor.
• 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).
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.8605		Relay (1.0) Calculated Property
ΔfusH°	45.43	kJ/mol	Joback Calculated Property
ΔvapH°	124.14	kJ/mol	Relay (1.0) Calculated Property
IE	8.89	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	1765.41	kPa	Joback Calculated Property
Inp	[3332.00; 3332.00]
Inp	3332.00		NIST
Inp	3332.00		NIST
Tboil	689.06	K	Relay (1.0) Calculated Property
Tc	978.48	K	Relay (1.0) Calculated Property
Tfus	367.91	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation 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	[804.89; 851.20]	J/mol×K	[948.86; 1185.72]
Cp,gas	804.89	J/mol×K	948.86	Joback Calculated Property
Cp,gas	815.84	J/mol×K	988.34	Joback Calculated Property
Cp,gas	825.43	J/mol×K	1027.81	Joback Calculated Property
Cp,gas	833.71	J/mol×K	1067.29	Joback Calculated Property
Cp,gas	840.73	J/mol×K	1106.76	Joback Calculated Property
Cp,gas	846.55	J/mol×K	1146.24	Joback Calculated Property
Cp,gas	851.20	J/mol×K	1185.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, di(2-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.