Chemical Properties of Glutaric acid, ethyl 2,3,6-trifluorobenzyl ester

InChI

InChI=1S/C14H15F3O4/c1-2-20-12(18)4-3-5-13(19)21-8-9-10(15)6-7-11(16)14(9)17/h6-7H,2-5,8H2,1H3

InChI Key

PSSPGRLFMPKTDF-UHFFFAOYSA-N

Formula

C14H15F3O4

SMILES

CCOC(=O)CCCC(=O)OCc1c(F)ccc(F)c1F

Molecular Weight¹

304.26

• 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°	-901.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-1208.10	kJ/mol	Joback Calculated Property
ΔfusH°	39.70	kJ/mol	Joback Calculated Property
ΔvapH°	66.88	kJ/mol	Joback Calculated Property
log10WS	-4.00		Crippen Calculated Property
logPoct/wat	2.880		Crippen Calculated Property
McVol	204.550	ml/mol	McGowan Calculated Property
Pc	1859.51	kPa	Joback Calculated Property
Inp	[1848.00; 1848.00]
Inp	1848.00		NIST
Inp	1848.00		NIST
Tboil	711.73	K	Joback Calculated Property
Tc	898.61	K	Joback Calculated Property
Tfus	457.61	K	Joback Calculated Property
Vc	0.814	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[561.77; 626.11]	J/mol×K	[711.73; 898.61]
Cp,gas	561.77	J/mol×K	711.73	Joback Calculated Property
Cp,gas	574.28	J/mol×K	742.88	Joback Calculated Property
Cp,gas	586.08	J/mol×K	774.02	Joback Calculated Property
Cp,gas	597.16	J/mol×K	805.17	Joback Calculated Property
Cp,gas	607.53	J/mol×K	836.32	Joback Calculated Property
Cp,gas	617.18	J/mol×K	867.47	Joback Calculated Property
Cp,gas	626.11	J/mol×K	898.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, ethyl 2,3,6-trifluorobenzyl ester.

Sources

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

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