Chemical Properties of D-Proline, N-ethoxycarbonyl-, ethyl ester

InChI

InChI=1S/C10H17NO4/c1-3-14-9(12)8-6-5-7-11(8)10(13)15-4-2/h8H,3-7H2,1-2H3

InChI Key

GQDLZFPIOGXLCK-UHFFFAOYSA-N

Formula

C10H17NO4

SMILES

CCOC(=O)C1CCCN1C(=O)OCC

Molecular Weight¹

215.25

• IE : Ionization energy (eV).
• 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
IE	8.92	eV	Relay (1.0) Calculated Property
log10WS	-1.14		Relay (1.0) Calculated Property
logPoct/wat	1.170		Crippen Calculated Property
McVol	165.760	ml/mol	McGowan Calculated Property
Inp	[1516.00; 1516.00]
Inp	1516.00		NIST
Inp	1516.00		NIST
Tboil	555.87	K	Relay (1.0) Calculated Property
Tfus	286.18	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 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 D-Proline, N-ethoxycarbonyl-, 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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