Chemical Properties of Glutaric acid, di(2,3,6-trifluorobenzyl) ester

InChI

InChI=1S/C19H14F6O4/c20-12-4-6-14(22)18(24)10(12)8-28-16(26)2-1-3-17(27)29-9-11-13(21)5-7-15(23)19(11)25/h4-7H,1-3,8-9H2

InChI Key

BWFGBOHFFPMLNT-UHFFFAOYSA-N

Formula

C19H14F6O4

SMILES

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

Molecular Weight¹

420.30

• 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°	-1360.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-1697.51	kJ/mol	Joback Calculated Property
ΔfusH°	54.77	kJ/mol	Joback Calculated Property
ΔvapH°	79.82	kJ/mol	Joback Calculated Property
log10WS	-6.69		Crippen Calculated Property
logPoct/wat	4.478		Crippen Calculated Property
McVol	256.550	ml/mol	McGowan Calculated Property
Pc	1426.15	kPa	Joback Calculated Property
Inp	[2415.00; 2415.00]
Inp	2415.00		NIST
Inp	2415.00		NIST
Tboil	865.56	K	Joback Calculated Property
Tc	1065.13	K	Joback Calculated Property
Tfus	579.71	K	Joback Calculated Property
Vc	1.040	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[762.53; 814.95]	J/mol×K	[865.56; 1065.13]
Cp,gas	762.53	J/mol×K	865.56	Joback Calculated Property
Cp,gas	773.73	J/mol×K	898.82	Joback Calculated Property
Cp,gas	783.94	J/mol×K	932.08	Joback Calculated Property
Cp,gas	793.16	J/mol×K	965.35	Joback Calculated Property
Cp,gas	801.40	J/mol×K	998.61	Joback Calculated Property
Cp,gas	808.66	J/mol×K	1031.87	Joback Calculated Property
Cp,gas	814.95	J/mol×K	1065.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, di(2,3,6-trifluorobenzyl) ester.

Sources

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

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