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

InChI

InChI=1S/C16H22F7NO3/c1-2-3-4-5-6-10-27-12(25)11-8-7-9-24(11)13(26)14(17,18)15(19,20)16(21,22)23/h11H,2-10H2,1H3

InChI Key

WLNLBZHPZDPOMB-UHFFFAOYSA-N

Formula

C16H22F7NO3

SMILES

CCCCCCCOC(=O)C1CCCN1C(=O)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

409.34

• 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

Property	Value	Unit	Source
logPoct/wat	4.324		Crippen Calculated Property
McVol	256.820	ml/mol	McGowan Calculated Property
Inp	[1779.00; 1779.00]
Inp	1779.00		NIST
Inp	1779.00		NIST
Tboil	561.31	K	Relay (1.0) Calculated Property

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.

Similar Compounds

Find more compounds similar to l-Proline, n-heptafluorobutyryl-, heptyl 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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