Chemical Properties of Diethylmalonic acid, tridecyl 2,2,3,3,3-pentafluoropropyl ester

InChI

InChI=1S/C23H39F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-31-19(29)21(5-2,6-3)20(30)32-18-22(24,25)23(26,27)28/h4-18H2,1-3H3

InChI Key

AOEJQAHBLQCGPI-UHFFFAOYSA-N

Formula

C23H39F5O4

SMILES

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

Molecular Weight¹

474.55

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1191.45; 1286.07]	J/mol×K	[864.88; 1059.91]
Cp,gas	1191.45	J/mol×K	864.88	Joback Calculated Property
Cp,gas	1209.85	J/mol×K	897.38	Joback Calculated Property
Cp,gas	1227.09	J/mol×K	929.89	Joback Calculated Property
Cp,gas	1243.25	J/mol×K	962.39	Joback Calculated Property
Cp,gas	1258.42	J/mol×K	994.90	Joback Calculated Property
Cp,gas	1272.67	J/mol×K	1027.40	Joback Calculated Property
Cp,gas	1286.07	J/mol×K	1059.91	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, tridecyl 2,2,3,3,3-pentafluoropropyl ester.

Sources

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

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