Chemical Properties of Succinic acid, ethyl 2-fluoro-3-(trifluoromethyl)phenyl ester

InChI

InChI=1S/C13H12F4O4/c1-2-20-10(18)6-7-11(19)21-9-5-3-4-8(12(9)14)13(15,16)17/h3-5H,2,6-7H2,1H3

InChI Key

JBDUFFDZHWXXID-UHFFFAOYSA-N

Formula

C13H12F4O4

SMILES

CCOC(=O)CCC(=O)Oc1cccc(C(F)(F)F)c1F

Molecular Weight¹

308.23

• 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	0.7119		Relay (1.0) Calculated Property
ΔfG°	-1092.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-1513.32	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.17	kJ/mol	Joback Calculated Property
ΔvapH°	75.93	kJ/mol	Relay (1.0) Calculated Property
IE	9.10	eV	Relay (1.0) Calculated Property
log10WS	-3.68		Relay (1.0) Calculated Property
logPoct/wat	3.093		Crippen Calculated Property
McVol	192.230	ml/mol	McGowan Calculated Property
Pc	2003.70	kPa	Joback Calculated Property
Inp	[1626.00; 1626.00]
Inp	1626.00		NIST
Inp	1626.00		NIST
Tboil	537.44	K	Relay (1.0) Calculated Property
Tc	726.78	K	Relay (1.0) Calculated Property
Tfus	307.48	K	Relay (1.0) Calculated Property
Vc	0.714	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[521.50; 582.10]	J/mol×K	[679.91; 868.19]
Cp,gas	521.50	J/mol×K	679.91	Joback Calculated Property
Cp,gas	533.39	J/mol×K	711.29	Joback Calculated Property
Cp,gas	544.55	J/mol×K	742.67	Joback Calculated Property
Cp,gas	554.98	J/mol×K	774.05	Joback Calculated Property
Cp,gas	564.71	J/mol×K	805.43	Joback Calculated Property
Cp,gas	573.74	J/mol×K	836.81	Joback Calculated Property
Cp,gas	582.10	J/mol×K	868.19	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, ethyl 2-fluoro-3-(trifluoromethyl)phenyl 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.