Chemical Properties of Succinic acid, ethyl 2,3,4-trifluorophenyl ester

InChI

InChI=1S/C12H11F3O4/c1-2-18-9(16)5-6-10(17)19-8-4-3-7(13)11(14)12(8)15/h3-4H,2,5-6H2,1H3

InChI Key

QBPJDFUOJQHHCU-UHFFFAOYSA-N

Formula

C12H11F3O4

SMILES

CCOC(=O)CCC(=O)Oc1ccc(F)c(F)c1F

Molecular Weight¹

276.21

• 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	0.7090		Relay (1.0) Calculated Property
ΔfG°	-918.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-1204.06	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.52	kJ/mol	Joback Calculated Property
ΔvapH°	77.79	kJ/mol	Relay (1.0) Calculated Property
IE	8.91	eV	Relay (1.0) Calculated Property
log10WS	-3.69		Relay (1.0) Calculated Property
logPoct/wat	2.353		Crippen Calculated Property
McVol	176.370	ml/mol	McGowan Calculated Property
Pc	2210.37	kPa	Joback Calculated Property
Inp	[1610.00; 1610.00]
Inp	1610.00		NIST
Inp	1610.00		NIST
Tboil	528.14	K	Relay (1.0) Calculated Property
Tc	723.92	K	Relay (1.0) Calculated Property
Tfus	292.49	K	Relay (1.0) Calculated Property
Vc	0.662	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[458.60; 517.49]	J/mol×K	[665.97; 855.23]
Cp,gas	458.60	J/mol×K	665.97	Joback Calculated Property
Cp,gas	469.97	J/mol×K	697.51	Joback Calculated Property
Cp,gas	480.72	J/mol×K	729.06	Joback Calculated Property
Cp,gas	490.85	J/mol×K	760.60	Joback Calculated Property
Cp,gas	500.36	J/mol×K	792.14	Joback Calculated Property
Cp,gas	509.24	J/mol×K	823.69	Joback Calculated Property
Cp,gas	517.49	J/mol×K	855.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, ethyl 2,3,4-trifluorophenyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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