Chemical Properties of Diethylmalonic acid, heptadecyl pentafluorobenzyl ester

InChI

InChI=1S/C31H47F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-39-29(37)31(5-2,6-3)30(38)40-22-23-24(32)26(34)28(36)27(35)25(23)33/h4-22H2,1-3H3

InChI Key

SKZPOKCVJORIBX-UHFFFAOYSA-N

Formula

C31H47F5O4

SMILES

CCCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

578.70

• 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1589.15; 1671.65]	J/mol×K	[1105.96; 1407.69]
Cp,gas	1589.15	J/mol×K	1105.96	Joback Calculated Property
Cp,gas	1609.29	J/mol×K	1156.25	Joback Calculated Property
Cp,gas	1626.64	J/mol×K	1206.54	Joback Calculated Property
Cp,gas	1641.38	J/mol×K	1256.83	Joback Calculated Property
Cp,gas	1653.68	J/mol×K	1307.12	Joback Calculated Property
Cp,gas	1663.71	J/mol×K	1357.40	Joback Calculated Property
Cp,gas	1671.65	J/mol×K	1407.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, heptadecyl pentafluorobenzyl 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.
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