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

InChI

InChI=1S/C24H16F6O4/c25-23(26,27)19-11-5-1-7-15(19)13-33-21(31)17-9-3-4-10-18(17)22(32)34-14-16-8-2-6-12-20(16)24(28,29)30/h1-12H,13-14H2

InChI Key

HQZDVFVHGMRAOZ-UHFFFAOYSA-N

Formula

C24H16F6O4

SMILES

O=C(OCc1ccccc1C(F)(F)F)c1ccccc1C(=O)OCc1ccccc1C(F)(F)F

Molecular Weight¹

482.37

• 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	0.9307		Relay (1.0) Calculated Property
ΔfG°	-1171.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-1645.86	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	48.10	kJ/mol	Joback Calculated Property
ΔvapH°	115.64	kJ/mol	Relay (1.0) Calculated Property
IE	9.02	eV	Relay (1.0) Calculated Property
log10WS	-7.02		Relay (1.0) Calculated Property
logPoct/wat	6.438		Crippen Calculated Property
McVol	303.240	ml/mol	McGowan Calculated Property
Pc	1357.63	kPa	Joback Calculated Property
Inp	[2675.00; 2675.00]
Inp	2675.00		NIST
Inp	2675.00		NIST
Tboil	698.70	K	Relay (1.0) Calculated Property
Tc	971.69	K	Relay (1.0) Calculated Property
Tfus	366.99	K	Relay (1.0) Calculated Property
Vc	1.119	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[949.10; 997.33]	J/mol×K	[985.24; 1213.68]
Cp,gas	949.10	J/mol×K	985.24	Joback Calculated Property
Cp,gas	959.37	J/mol×K	1023.31	Joback Calculated Property
Cp,gas	968.59	J/mol×K	1061.39	Joback Calculated Property
Cp,gas	976.90	J/mol×K	1099.46	Joback Calculated Property
Cp,gas	984.38	J/mol×K	1137.53	Joback Calculated Property
Cp,gas	991.16	J/mol×K	1175.61	Joback Calculated Property
Cp,gas	997.33	J/mol×K	1213.68	Joback Calculated Property

Similar Compounds

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

Sources

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

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