Chemical Properties of Succinic acid, ethyl 2,3,4,5-tetrafluorobenzyl ester

InChI

InChI=1S/C13H12F4O4/c1-2-20-9(18)3-4-10(19)21-6-7-5-8(14)12(16)13(17)11(7)15/h5H,2-4,6H2,1H3

InChI Key

OEUICBCILZUNEB-UHFFFAOYSA-N

Formula

C13H12F4O4

SMILES

CCOC(=O)CCC(=O)OCc1cc(F)c(F)c(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°	-1114.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-1395.04	kJ/mol	Joback Calculated Property
ΔfusH°	39.80	kJ/mol	Joback Calculated Property
ΔvapH°	64.50	kJ/mol	Joback Calculated Property
log10WS	-3.91		Crippen Calculated Property
logPoct/wat	2.630		Crippen Calculated Property
McVol	192.230	ml/mol	McGowan Calculated Property
Pc	1918.62	kPa	Joback Calculated Property
Inp	[1671.00; 1671.00]
Inp	1671.00		NIST
Inp	1671.00		NIST
Tboil	693.10	K	Joback Calculated Property
Tc	875.69	K	Joback Calculated Property
Tfus	459.45	K	Joback Calculated Property
Vc	0.775	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[516.41; 575.54]	J/mol×K	[693.10; 875.69]
Cp,gas	516.41	J/mol×K	693.10	Joback Calculated Property
Cp,gas	527.81	J/mol×K	723.53	Joback Calculated Property
Cp,gas	538.61	J/mol×K	753.96	Joback Calculated Property
Cp,gas	548.78	J/mol×K	784.39	Joback Calculated Property
Cp,gas	558.33	J/mol×K	814.82	Joback Calculated Property
Cp,gas	567.26	J/mol×K	845.26	Joback Calculated Property
Cp,gas	575.54	J/mol×K	875.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, ethyl 2,3,4,5-tetrafluorobenzyl ester.

Sources

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

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