Chemical Properties of Phthalic acid, ethyl 2,4,5-trifluorobenzyl ester

InChI

InChI=1S/C17H13F3O4/c1-2-23-16(21)11-5-3-4-6-12(11)17(22)24-9-10-7-14(19)15(20)8-13(10)18/h3-8H,2,9H2,1H3

InChI Key

UCXYWXVGKAMWIL-UHFFFAOYSA-N

Formula

C17H13F3O4

SMILES

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

Molecular Weight¹

338.28

• 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	0.8006		Relay (1.0) Calculated Property
ΔfG°	-773.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-1063.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.13	kJ/mol	Joback Calculated Property
ΔvapH°	94.91	kJ/mol	Relay (1.0) Calculated Property
IE	9.02	eV	Relay (1.0) Calculated Property
log10WS	-5.47		Relay (1.0) Calculated Property
logPoct/wat	3.638		Crippen Calculated Property
McVol	223.060	ml/mol	McGowan Calculated Property
Pc	1905.24	kPa	Joback Calculated Property
Inp	[2223.00; 2223.00]
Inp	2223.00		NIST
Inp	2223.00		NIST
Tboil	620.42	K	Relay (1.0) Calculated Property
Tc	849.06	K	Relay (1.0) Calculated Property
Tfus	301.60	K	Relay (1.0) Calculated Property
Vc	0.830	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[631.67; 687.89]	J/mol×K	[812.03; 1023.37]
Cp,gas	631.67	J/mol×K	812.03	Joback Calculated Property
Cp,gas	643.52	J/mol×K	847.25	Joback Calculated Property
Cp,gas	654.37	J/mol×K	882.48	Joback Calculated Property
Cp,gas	664.23	J/mol×K	917.70	Joback Calculated Property
Cp,gas	673.09	J/mol×K	952.92	Joback Calculated Property
Cp,gas	680.98	J/mol×K	988.14	Joback Calculated Property
Cp,gas	687.89	J/mol×K	1023.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, ethyl 2,4,5-trifluorobenzyl ester.

Sources

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

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