- InChI
- InChI=1S/C15H25NO3/c1-2-19-15(18)13-8-5-11-16(13)14(17)10-9-12-6-3-4-7-12/h12-13H,2-11H2,1H3
- InChI Key
- ZXSAAFVNQNIZPW-UHFFFAOYSA-N
- Formula
- C15H25NO3
- SMILES
- CCOC(=O)C1CCCN1C(=O)CCC1CCCC1
- Molecular Weight1
- 267.36
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6368 | Relay (1.0) Calculated Property | |
| ΔfG° | -175.26 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -702.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 88.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.511 | Crippen Calculated Property | |
| McVol | 219.480 | ml/mol | McGowan Calculated Property |
| Pc | 1580.01 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2127.00; 2127.00] |
|
|
| Inp | 2127.00 | NIST | |
| Inp | 2127.00 | NIST | |
| Tboil | 615.19 | K | Relay (1.0) Calculated Property |
| Tc | 831.02 | K | Relay (1.0) Calculated Property |
| Tfus | 321.42 | K | Relay (1.0) Calculated Property |
| Vc | 0.803 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(3-cyclopentylpropionyl)-, 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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