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

InChI

InChI=1S/C32H50F4O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-39-29(37)31(5-2,6-3)30(38)40-27-24-22-23-26(28(27)33)32(34,35)36/h22-24H,4-21,25H2,1-3H3

InChI Key

FFOAIPWGOBCYMF-UHFFFAOYSA-N

Formula

C32H50F4O4

SMILES

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

Molecular Weight¹

574.73

• 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	[1631.75; 1726.82]	J/mol×K	[1075.46; 1349.23]
Cp,gas	1631.75	J/mol×K	1075.46	Joback Calculated Property
Cp,gas	1652.02	J/mol×K	1121.09	Joback Calculated Property
Cp,gas	1670.22	J/mol×K	1166.72	Joback Calculated Property
Cp,gas	1686.58	J/mol×K	1212.34	Joback Calculated Property
Cp,gas	1701.31	J/mol×K	1257.97	Joback Calculated Property
Cp,gas	1714.65	J/mol×K	1303.60	Joback Calculated Property
Cp,gas	1726.82	J/mol×K	1349.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl octadecyl 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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