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

• 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	0.8170		Relay (... Calculated Property
ΔfG°	-978.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-1204.01	kJ/mol	Relay (... Calculated Property
ΔfusH°	43.82	kJ/mol	Joback Calculated Property
ΔvapH°	92.71	kJ/mol	Relay (... Calculated Property
IE	9.19	eV	Relay (... Calculated Property
log10WS	-5.95		Relay (... 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	615.21	K	Relay (... Calculated Property
Tc	834.34	K	Relay (... Calculated Property
Tfus	288.00	K	Relay (... Calculated Property
Vc	0.833	m3/kmol	Relay (... 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

• 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.