Chemical Properties of Glutaric acid, di(1-(2,6-difluorophenyl)ethyl) ester

InChI

InChI=1S/C21H20F4O4/c1-12(20-14(22)6-3-7-15(20)23)28-18(26)10-5-11-19(27)29-13(2)21-16(24)8-4-9-17(21)25/h3-4,6-9,12-13H,5,10-11H2,1-2H3

InChI Key

CHIFOAZRJHRVLT-UHFFFAOYSA-N

Formula

C21H20F4O4

SMILES

CC(OC(=O)CCCC(=O)OC(C)c1c(F)cccc1F)c1c(F)cccc1F

Molecular Weight¹

412.37

• 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°	-939.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-1334.19	kJ/mol	Joback Calculated Property
ΔfusH°	47.52	kJ/mol	Joback Calculated Property
ΔvapH°	83.81	kJ/mol	Joback Calculated Property
log10WS	-6.79		Crippen Calculated Property
logPoct/wat	5.322		Crippen Calculated Property
McVol	281.190	ml/mol	McGowan Calculated Property
Pc	1367.69	kPa	Joback Calculated Property
Inp	[2469.00; 2469.00]
Inp	2469.00		NIST
Inp	2469.00		NIST
Tboil	901.94	K	Joback Calculated Property
Tc	1112.05	K	Joback Calculated Property
Tfus	546.03	K	Joback Calculated Property
Vc	1.103	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[865.81; 923.49]	J/mol×K	[901.94; 1112.05]
Cp,gas	865.81	J/mol×K	901.94	Joback Calculated Property
Cp,gas	878.35	J/mol×K	936.96	Joback Calculated Property
Cp,gas	889.70	J/mol×K	971.98	Joback Calculated Property
Cp,gas	899.86	J/mol×K	1007.00	Joback Calculated Property
Cp,gas	908.87	J/mol×K	1042.01	Joback Calculated Property
Cp,gas	916.73	J/mol×K	1077.03	Joback Calculated Property
Cp,gas	923.49	J/mol×K	1112.05	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, di(1-(2,6-difluorophenyl)ethyl) ester.

Sources

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

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