Chemical Properties of Succinic acid, ethyl 2-fluoro-6-(trifluoromethyl)benzyl ester

InChI

InChI=1S/C14H14F4O4/c1-2-21-12(19)6-7-13(20)22-8-9-10(14(16,17)18)4-3-5-11(9)15/h3-5H,2,6-8H2,1H3

InChI Key

VHJWEZQDBMZUMI-UHFFFAOYSA-N

Formula

C14H14F4O4

SMILES

CCOC(=O)CCC(=O)OCc1c(F)cccc1C(F)(F)F

Molecular Weight¹

322.25

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	35.76	kJ/mol	Joback Calculated Property
log10WS	-3.85		Relay (1.0) Calculated Property
logPoct/wat	3.231		Crippen Calculated Property
McVol	206.320	ml/mol	McGowan Calculated Property
Pc	1841.99	kPa	Joback Calculated Property
Inp	[1726.00; 1726.00]
Inp	1726.00		NIST
Inp	1726.00		NIST
Tboil	559.87	K	Relay (1.0) Calculated Property
Tc	738.85	K	Relay (1.0) Calculated Property
Tfus	312.33	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[573.36; 636.44]	J/mol×K	[702.79; 889.93]
Cp,gas	573.36	J/mol×K	702.79	Joback Calculated Property
Cp,gas	585.75	J/mol×K	733.98	Joback Calculated Property
Cp,gas	597.37	J/mol×K	765.17	Joback Calculated Property
Cp,gas	608.23	J/mol×K	796.36	Joback Calculated Property
Cp,gas	618.35	J/mol×K	827.55	Joback Calculated Property
Cp,gas	627.75	J/mol×K	858.74	Joback Calculated Property
Cp,gas	636.44	J/mol×K	889.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, ethyl 2-fluoro-6-(trifluoromethyl)benzyl 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.