Chemical Properties of l-Isoleucine, n-heptafluorobutyryl-, nonyl ester

InChI

InChI=1S/C19H30F7NO3/c1-4-6-7-8-9-10-11-12-30-15(28)14(13(3)5-2)27-16(29)17(20,21)18(22,23)19(24,25)26/h13-14H,4-12H2,1-3H3,(H,27,29)

InChI Key

SPLZTJSKVYXGAK-UHFFFAOYSA-N

Formula

C19H30F7NO3

SMILES

CCCCCCCCCOC(=O)C(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(C)CC

Molecular Weight¹

453.44

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[991.06; 1072.72]	J/mol×K	[780.90; 956.71]
Cp,gas	991.06	J/mol×K	780.90	Joback Calculated Property
Cp,gas	1006.94	J/mol×K	810.20	Joback Calculated Property
Cp,gas	1021.83	J/mol×K	839.50	Joback Calculated Property
Cp,gas	1035.79	J/mol×K	868.80	Joback Calculated Property
Cp,gas	1048.88	J/mol×K	898.11	Joback Calculated Property
Cp,gas	1061.17	J/mol×K	927.41	Joback Calculated Property
Cp,gas	1072.72	J/mol×K	956.71	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Isoleucine, n-heptafluorobutyryl-, nonyl 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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