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

• 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°	-1092.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-1380.85	kJ/mol	Joback Calculated Property
ΔfusH°	33.17	kJ/mol	Joback Calculated Property
ΔvapH°	61.88	kJ/mol	Joback Calculated Property
log10WS	-3.76		Crippen 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	679.91	K	Joback Calculated Property
Tc	868.19	K	Joback Calculated Property
Tfus	436.83	K	Joback Calculated Property
Vc	0.764	m3/kmol	Joback 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

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

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