Chemical Properties of l-Proline, n-heptafluorobutyryl-, ethyl ester

InChI

InChI=1S/C11H12F7NO3/c1-2-22-7(20)6-4-3-5-19(6)8(21)9(12,13)10(14,15)11(16,17)18/h6H,2-5H2,1H3

InChI Key

FDCZUNMXHDNQHK-UHFFFAOYSA-N

Formula

C11H12F7NO3

SMILES

CCOC(=O)C1CCCN1C(=O)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

339.21

• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
logPoct/wat	2.373		Crippen Calculated Property
McVol	186.370	ml/mol	McGowan Calculated Property
Inp	[1344.00; 1344.00]
Inp	1344.00		NIST
Inp	1344.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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.

Similar Compounds

Find more compounds similar to l-Proline, n-heptafluorobutyryl-, ethyl 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
• McGowan Method
• NIST Webbook

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