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

InChI

InChI=1S/C13H13F3O4/c1-2-19-11(17)3-4-12(18)20-7-8-5-9(14)13(16)10(15)6-8/h5-6H,2-4,7H2,1H3

InChI Key

ZDIJEZOAJSJDDJ-UHFFFAOYSA-N

Formula

C13H13F3O4

SMILES

CCOC(=O)CCC(=O)OCc1cc(F)c(F)c(F)c1

Molecular Weight¹

290.24

• 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	0.7325		Relay (1.0) Calculated Property
ΔfG°	-910.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-1223.69	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.11	kJ/mol	Joback Calculated Property
ΔvapH°	79.93	kJ/mol	Relay (1.0) Calculated Property
IE	9.11	eV	Relay (1.0) Calculated Property
log10WS	-3.98		Relay (1.0) Calculated Property
logPoct/wat	2.490		Crippen Calculated Property
McVol	190.460	ml/mol	McGowan Calculated Property
Pc	2023.58	kPa	Joback Calculated Property
Inp	[1710.00; 1710.00]
Inp	1710.00		NIST
Inp	1710.00		NIST
Tboil	541.88	K	Relay (1.0) Calculated Property
Tc	725.52	K	Relay (1.0) Calculated Property
Tfus	277.62	K	Relay (1.0) Calculated Property
Vc	0.716	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[509.51; 571.32]	J/mol×K	[688.85; 876.71]
Cp,gas	509.51	J/mol×K	688.85	Joback Calculated Property
Cp,gas	521.49	J/mol×K	720.16	Joback Calculated Property
Cp,gas	532.79	J/mol×K	751.47	Joback Calculated Property
Cp,gas	543.44	J/mol×K	782.78	Joback Calculated Property
Cp,gas	553.40	J/mol×K	814.09	Joback Calculated Property
Cp,gas	562.70	J/mol×K	845.40	Joback Calculated Property
Cp,gas	571.32	J/mol×K	876.71	Joback Calculated Property

Similar Compounds

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

Sources

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

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