Chemical Properties of Diethylmalonic acid, decyl 2,4,5-trifluorobenzyl ester

InChI

InChI=1S/C24H35F3O4/c1-4-7-8-9-10-11-12-13-14-30-22(28)24(5-2,6-3)23(29)31-17-18-15-20(26)21(27)16-19(18)25/h15-16H,4-14,17H2,1-3H3

InChI Key

CWVJZXQWABWAQC-UHFFFAOYSA-N

Formula

C24H35F3O4

SMILES

CCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCc1cc(F)c(F)cc1F

Molecular Weight¹

444.53

• 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	[1124.82; 1203.50]	J/mol×K	[901.36; 1103.54]
Cp,gas	1124.82	J/mol×K	901.36	Joback Calculated Property
Cp,gas	1141.10	J/mol×K	935.06	Joback Calculated Property
Cp,gas	1156.04	J/mol×K	968.75	Joback Calculated Property
Cp,gas	1169.71	J/mol×K	1002.45	Joback Calculated Property
Cp,gas	1182.15	J/mol×K	1036.14	Joback Calculated Property
Cp,gas	1193.40	J/mol×K	1069.84	Joback Calculated Property
Cp,gas	1203.50	J/mol×K	1103.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, decyl 2,4,5-trifluorobenzyl 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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