Chemical Properties of Succinic acid, ethyl 4-trifluoromethoxybenzyl ester

InChI

InChI=1S/C14H15F3O5/c1-2-20-12(18)7-8-13(19)21-9-10-3-5-11(6-4-10)22-14(15,16)17/h3-6H,2,7-9H2,1H3

InChI Key

KKEJXQUCMJRKBV-UHFFFAOYSA-N

Formula

C14H15F3O5

SMILES

CCOC(=O)CCC(=O)OCc1ccc(OC(F)(F)F)cc1

Molecular Weight¹

320.26

• 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°	-984.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-1326.13	kJ/mol	Joback Calculated Property
ΔfusH°	34.26	kJ/mol	Joback Calculated Property
ΔvapH°	66.67	kJ/mol	Joback Calculated Property
log10WS	-3.86		Crippen Calculated Property
logPoct/wat	2.972		Crippen Calculated Property
McVol	210.420	ml/mol	McGowan Calculated Property
Pc	1911.91	kPa	Joback Calculated Property
Inp	[1747.00; 1747.00]
Inp	1747.00		NIST
Inp	1747.00		NIST
Tboil	720.96	K	Joback Calculated Property
Tc	913.09	K	Joback Calculated Property
Tfus	457.22	K	Joback Calculated Property
Vc	0.821	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[592.68; 656.71]	J/mol×K	[720.96; 913.09]
Cp,gas	592.68	J/mol×K	720.96	Joback Calculated Property
Cp,gas	605.42	J/mol×K	752.98	Joback Calculated Property
Cp,gas	617.32	J/mol×K	785.00	Joback Calculated Property
Cp,gas	628.39	J/mol×K	817.03	Joback Calculated Property
Cp,gas	638.64	J/mol×K	849.05	Joback Calculated Property
Cp,gas	648.07	J/mol×K	881.07	Joback Calculated Property
Cp,gas	656.71	J/mol×K	913.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, ethyl 4-trifluoromethoxybenzyl ester.

Sources

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

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