Chemical Properties of Glutaric acid, di(2,4,5-trifluorobenzyl) ester

InChI

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

InChI Key

WBQGCOVGOLLHNN-UHFFFAOYSA-N

Formula

C19H14F6O4

SMILES

O=C(CCCC(=O)OCc1cc(F)c(F)cc1F)OCc1cc(F)c(F)cc1F

Molecular Weight¹

420.30

• 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	0.9355		Relay (1.0) Calculated Property
ΔfG°	-1360.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-1582.69	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	54.77	kJ/mol	Joback Calculated Property
ΔvapH°	106.84	kJ/mol	Relay (1.0) Calculated Property
IE	8.98	eV	Relay (1.0) Calculated Property
log10WS	-6.60		Relay (1.0) 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	[2635.00; 2635.00]
Inp	2635.00		NIST
Inp	2635.00		NIST
Tboil	631.40	K	Relay (1.0) Calculated Property
Tc	843.07	K	Relay (1.0) Calculated Property
Tfus	355.06	K	Relay (1.0) Calculated Property
Vc	0.964	m3/kmol	Relay (1.0) 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(2,4,5-trifluorobenzyl) ester.

Sources

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

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