Chemical Properties of Phthalic acid, ethyl 2,3,4,5-tetrafluorobenzyl ester

InChI

InChI=1S/C17H12F4O4/c1-2-24-16(22)10-5-3-4-6-11(10)17(23)25-8-9-7-12(18)14(20)15(21)13(9)19/h3-7H,2,8H2,1H3

InChI Key

XPDHEHOKFQQNRZ-UHFFFAOYSA-N

Formula

C17H12F4O4

SMILES

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

Molecular Weight¹

356.27

• 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).
• 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
ΔfG°	-978.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-1252.54	kJ/mol	Joback Calculated Property
ΔfusH°	43.82	kJ/mol	Joback Calculated Property
ΔvapH°	76.34	kJ/mol	Joback Calculated Property
log10WS	-5.81		Crippen Calculated Property
logPoct/wat	3.777		Crippen Calculated Property
McVol	224.830	ml/mol	McGowan Calculated Property
Pc	1809.23	kPa	Joback Calculated Property
Inp	[2014.00; 2014.00]
Inp	2014.00		NIST
Inp	2014.00		NIST
Tboil	816.28	K	Joback Calculated Property
Tc	1022.34	K	Joback Calculated Property
Tfus	543.47	K	Joback Calculated Property
Vc	0.891	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[637.85; 691.63]	J/mol×K	[816.28; 1022.34]
Cp,gas	637.85	J/mol×K	816.28	Joback Calculated Property
Cp,gas	649.18	J/mol×K	850.62	Joback Calculated Property
Cp,gas	659.56	J/mol×K	884.97	Joback Calculated Property
Cp,gas	668.99	J/mol×K	919.31	Joback Calculated Property
Cp,gas	677.48	J/mol×K	953.65	Joback Calculated Property
Cp,gas	685.03	J/mol×K	987.99	Joback Calculated Property
Cp,gas	691.63	J/mol×K	1022.34	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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