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

InChI

InChI=1S/C21H32F8O4/c1-4-7-8-9-10-11-12-13-32-16(30)18(5-2,6-3)17(31)33-14-19(24,25)21(28,29)20(26,27)15(22)23/h15H,4-14H2,1-3H3

InChI Key

PJRBAMSXPWRUEJ-UHFFFAOYSA-N

Formula

C21H32F8O4

SMILES

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

Molecular Weight¹

500.46

• 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°	-1891.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-2575.53	kJ/mol	Joback Calculated Property
ΔfusH°	47.18	kJ/mol	Joback Calculated Property
ΔvapH°	68.54	kJ/mol	Joback Calculated Property
log10WS	-7.35		Crippen Calculated Property
logPoct/wat	6.801		Crippen Calculated Property
McVol	335.790	ml/mol	McGowan Calculated Property
Pc	855.96	kPa	Joback Calculated Property
Inp	[1913.00; 1913.00]
Inp	1913.00		NIST
Inp	1913.00		NIST
Tboil	813.26	K	Joback Calculated Property
Tc	995.76	K	Joback Calculated Property
Tfus	470.15	K	Joback Calculated Property
Vc	1.353	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1093.30; 1179.10]	J/mol×K	[813.26; 995.76]
Cp,gas	1093.30	J/mol×K	813.26	Joback Calculated Property
Cp,gas	1109.94	J/mol×K	843.68	Joback Calculated Property
Cp,gas	1125.55	J/mol×K	874.09	Joback Calculated Property
Cp,gas	1140.19	J/mol×K	904.51	Joback Calculated Property
Cp,gas	1153.95	J/mol×K	934.93	Joback Calculated Property
Cp,gas	1166.89	J/mol×K	965.35	Joback Calculated Property
Cp,gas	1179.10	J/mol×K	995.76	Joback Calculated Property

Similar Compounds

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

Sources

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

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