Chemical Properties of Glycine, 2-cyclohexyl-N-ethoxycarbonyl-, heptyl ester

InChI

InChI=1S/C18H33NO4/c1-3-5-6-7-11-14-23-17(20)16(19-18(21)22-4-2)15-12-9-8-10-13-15/h15-16H,3-14H2,1-2H3,(H,19,21)

InChI Key

LIGCYICJBDZSNQ-UHFFFAOYSA-N

Formula

C18H33NO4

SMILES

CCCCCCCOC(=O)C(N=C(O)OCC)C1CCCCC1

Molecular Weight¹

327.46

• 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

Property	Value	Unit	Source
log10WS	-4.43		Relay (1.0) Calculated Property
logPoct/wat	4.399		Crippen Calculated Property
McVol	278.480	ml/mol	McGowan Calculated Property
Inp	[2224.00; 2224.00]
Inp	2224.00		NIST
Inp	2224.00		NIST
Tboil	626.55	K	Relay (1.0) Calculated Property
Tfus	331.30	K	Relay (1.0) Calculated Property

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.

Similar Compounds

Find more compounds similar to Glycine, 2-cyclohexyl-N-ethoxycarbonyl-, 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
• Joback Method
• McGowan Method
• NIST Webbook

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