Chemical Properties of Diethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl heptyl ester

InChI

InChI=1S/C21H28F4O4/c1-4-7-8-9-10-14-28-18(26)20(5-2,6-3)19(27)29-16-13-11-12-15(17(16)22)21(23,24)25/h11-13H,4-10,14H2,1-3H3

InChI Key

KCBYWAKNFUGMQJ-UHFFFAOYSA-N

Formula

C21H28F4O4

SMILES

CCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1cccc(C(F)(F)F)c1F

Molecular Weight¹

420.44

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[954.53; 1029.99]	J/mol×K	[823.78; 1014.20]
Cp,gas	954.53	J/mol×K	823.78	Joback Calculated Property
Cp,gas	969.72	J/mol×K	855.52	Joback Calculated Property
Cp,gas	983.79	J/mol×K	887.25	Joback Calculated Property
Cp,gas	996.81	J/mol×K	918.99	Joback Calculated Property
Cp,gas	1008.81	J/mol×K	950.72	Joback Calculated Property
Cp,gas	1019.86	J/mol×K	982.46	Joback Calculated Property
Cp,gas	1029.99	J/mol×K	1014.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl heptyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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