Chemical Properties of Diethylmalonic acid, 2,2,3,3,4,4,5,5-octafluoropentyl undecyl ester

InChI

InChI=1S/C23H36F8O4/c1-4-7-8-9-10-11-12-13-14-15-34-18(32)20(5-2,6-3)19(33)35-16-21(26,27)23(30,31)22(28,29)17(24)25/h17H,4-16H2,1-3H3

InChI Key

JYAWMCDGWLDNFK-UHFFFAOYSA-N

Formula

C23H36F8O4

SMILES

CCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F

Molecular Weight¹

528.52

• 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°	-1874.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-2616.81	kJ/mol	Joback Calculated Property
ΔfusH°	52.36	kJ/mol	Joback Calculated Property
ΔvapH°	73.00	kJ/mol	Joback Calculated Property
log10WS	-8.19		Crippen Calculated Property
logPoct/wat	7.581		Crippen Calculated Property
McVol	363.970	ml/mol	McGowan Calculated Property
Pc	767.34	kPa	Joback Calculated Property
Inp	[2117.00; 2117.00]
Inp	2117.00		NIST
Inp	2117.00		NIST
Tboil	859.02	K	Joback Calculated Property
Tc	1054.55	K	Joback Calculated Property
Tfus	492.69	K	Joback Calculated Property
Vc	1.466	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1214.13; 1306.35]	J/mol×K	[859.02; 1054.55]
Cp,gas	1214.13	J/mol×K	859.02	Joback Calculated Property
Cp,gas	1232.05	J/mol×K	891.61	Joback Calculated Property
Cp,gas	1248.83	J/mol×K	924.20	Joback Calculated Property
Cp,gas	1264.54	J/mol×K	956.78	Joback Calculated Property
Cp,gas	1279.31	J/mol×K	989.37	Joback Calculated Property
Cp,gas	1293.21	J/mol×K	1021.96	Joback Calculated Property
Cp,gas	1306.35	J/mol×K	1054.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2,2,3,3,4,4,5,5-octafluoropentyl undecyl ester.

Sources

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

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