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

InChI

InChI=1S/C22H12F6O4/c23-15-7-19(27)17(25)5-11(15)9-31-21(29)13-3-1-2-4-14(13)22(30)32-10-12-6-18(26)20(28)8-16(12)24/h1-8H,9-10H2

InChI Key

XWTYXZKXXHJUFS-UHFFFAOYSA-N

Formula

C22H12F6O4

SMILES

O=C(OCc1cc(F)c(F)cc1F)c1ccccc1C(=O)OCc1cc(F)c(F)cc1F

Molecular Weight¹

454.32

• 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	0.9469		Relay (... Calculated Property
ΔfG°	-1232.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-1398.25	kJ/mol	Relay (... Calculated Property
ΔfusH°	56.19	kJ/mol	Joback Calculated Property
ΔvapH°	115.22	kJ/mol	Relay (... Calculated Property
IE	9.08	eV	Relay (... Calculated Property
log10WS	-7.83		Relay (... Calculated Property
logPoct/wat	5.235		Crippen Calculated Property
McVol	275.060	ml/mol	McGowan Calculated Property
Pc	1456.79	kPa	Joback Calculated Property
Inp	[2992.00; 2992.00]
Inp	2992.00		NIST
Inp	2992.00		NIST
Tboil	673.95	K	Relay (... Calculated Property
Tc	946.83	K	Relay (... Calculated Property
Tfus	357.05	K	Relay (... Calculated Property
Vc	1.025	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[826.46; 862.75]	J/mol×K	[965.86; 1187.70]
Cp,gas	826.46	J/mol×K	965.86	Joback Calculated Property
Cp,gas	835.59	J/mol×K	1002.83	Joback Calculated Property
Cp,gas	843.46	J/mol×K	1039.81	Joback Calculated Property
Cp,gas	850.10	J/mol×K	1076.78	Joback Calculated Property
Cp,gas	855.51	J/mol×K	1113.75	Joback Calculated Property
Cp,gas	859.73	J/mol×K	1150.73	Joback Calculated Property
Cp,gas	862.75	J/mol×K	1187.70	Joback Calculated Property

Similar Compounds

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