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

InChI

InChI=1S/C19H16F4O4/c20-14-4-6-16(22)12(8-14)10-26-18(24)2-1-3-19(25)27-11-13-9-15(21)5-7-17(13)23/h4-9H,1-3,10-11H2

InChI Key

MCRRIWGBIFJZCM-UHFFFAOYSA-N

Formula

C19H16F4O4

SMILES

O=C(CCCC(=O)OCc1cc(F)ccc1F)OCc1cc(F)ccc1F

Molecular Weight¹

384.32

• 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°	-951.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-1282.35	kJ/mol	Joback Calculated Property
ΔfusH°	49.39	kJ/mol	Joback Calculated Property
ΔvapH°	80.13	kJ/mol	Joback Calculated Property
log10WS	-6.02		Crippen Calculated Property
logPoct/wat	4.200		Crippen Calculated Property
McVol	253.010	ml/mol	McGowan Calculated Property
Pc	1564.75	kPa	Joback Calculated Property
Inp	[2418.00; 2418.00]
Inp	2418.00		NIST
Inp	2418.00		NIST
Tboil	857.06	K	Joback Calculated Property
Tc	1062.03	K	Joback Calculated Property
Tfus	553.49	K	Joback Calculated Property
Vc	1.004	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[750.40; 806.95]	J/mol×K	[857.06; 1062.03]
Cp,gas	750.40	J/mol×K	857.06	Joback Calculated Property
Cp,gas	762.38	J/mol×K	891.22	Joback Calculated Property
Cp,gas	773.32	J/mol×K	925.38	Joback Calculated Property
Cp,gas	783.24	J/mol×K	959.54	Joback Calculated Property
Cp,gas	792.13	J/mol×K	993.70	Joback Calculated Property
Cp,gas	800.03	J/mol×K	1027.86	Joback Calculated Property
Cp,gas	806.95	J/mol×K	1062.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, di(2,5-difluorobenzyl) ester.

Sources

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

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