Chemical Properties of Phthalic acid, di(2,3,4,5-tetrafluorobenzyl) ester

InChI

InChI=1S/C22H10F8O4/c23-13-5-9(15(25)19(29)17(13)27)7-33-21(31)11-3-1-2-4-12(11)22(32)34-8-10-6-14(24)18(28)20(30)16(10)26/h1-6H,7-8H2

InChI Key

FDRYEBRGYQDRAN-UHFFFAOYSA-N

Formula

C22H10F8O4

SMILES

O=C(OCc1cc(F)c(F)c(F)c1F)c1ccccc1C(=O)OCc1cc(F)c(F)c(F)c1F

Molecular Weight¹

490.30

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.9804		Relay (... Calculated Property
ΔfG°	-1641.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-1678.52	kJ/mol	Relay (... Calculated Property
ΔfusH°	61.57	kJ/mol	Joback Calculated Property
ΔvapH°	110.90	kJ/mol	Relay (... Calculated Property
IE	9.31	eV	Relay (... Calculated Property
log10WS	-8.94		Relay (... Calculated Property
logPoct/wat	5.513		Crippen Calculated Property
McVol	278.600	ml/mol	McGowan Calculated Property
Pc	1331.98	kPa	Joback Calculated Property
Inp	[2513.00; 2513.00]
Inp	2513.00		NIST
Inp	2513.00		NIST
Tboil	669.27	K	Relay (... Calculated Property
Tc	921.55	K	Relay (... Calculated Property
Tfus	341.94	K	Relay (... Calculated Property
Vc	1.034	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[836.94; 868.70]	J/mol×K	[974.36; 1193.84]
Cp,gas	836.94	J/mol×K	974.36	Joback Calculated Property
Cp,gas	845.38	J/mol×K	1010.94	Joback Calculated Property
Cp,gas	852.56	J/mol×K	1047.52	Joback Calculated Property
Cp,gas	858.47	J/mol×K	1084.10	Joback Calculated Property
Cp,gas	863.13	J/mol×K	1120.68	Joback Calculated Property
Cp,gas	866.54	J/mol×K	1157.26	Joback Calculated Property
Cp,gas	868.70	J/mol×K	1193.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, di(2,3,4,5-tetrafluorobenzyl) ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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