Chemical Properties of Diethylmalonic acid, tridecyl 1,1,1-trifluoroprop-2-yl ester

InChI

InChI=1S/C23H41F3O4/c1-5-8-9-10-11-12-13-14-15-16-17-18-29-20(27)22(6-2,7-3)21(28)30-19(4)23(24,25)26/h19H,5-18H2,1-4H3

InChI Key

BRYLAYHIIFOQIK-UHFFFAOYSA-N

Formula

C23H41F3O4

SMILES

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

Molecular Weight¹

438.57

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point 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 Temperature, Critical Pressure, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[547.43; 1246.82]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			4.44000e-01
Coefficient B			2.37218e+00
Coefficient C			-1.43420e-03
Coefficient D			3.08400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	547.43	J/mol×K	273.00	Calculated Property
Cp,gas	673.82	J/mol×K	353.78	Calculated Property
Cp,gas	785.76	J/mol×K	434.56	Calculated Property
Cp,gas	884.24	J/mol×K	515.33	Calculated Property
Cp,gas	970.21	J/mol×K	596.11	Calculated Property
Cp,gas	1044.67	J/mol×K	676.89	Calculated Property
Cp,gas	1108.59	J/mol×K	757.67	Calculated Property
Cp,gas	1162.93	J/mol×K	838.44	Calculated Property
Cp,gas	1208.69	J/mol×K	919.22	Calculated Property
Cp,gas	1246.82	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, tridecyl 1,1,1-trifluoroprop-2-yl 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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