- InChI
- InChI=1S/C20H37NO3/c1-3-5-7-9-11-15-19(22)21-16-13-14-18(21)20(23)24-17-12-10-8-6-4-2/h18H,3-17H2,1-2H3
- InChI Key
- KXWHCGVPHFKZMV-UHFFFAOYSA-N
- Formula
- C20H37NO3
- SMILES
-
CCCCCCCOC(=O)C1CCCN1C(=O)CCCCC
CC - Molecular Weight1
- 339.51
- 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 | 0.9349 | Relay (1.0) Calculated Property | |
| ΔfG° | -173.18 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -820.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 100.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.851 | Crippen Calculated Property | |
| McVol | 300.790 | ml/mol | McGowan Calculated Property |
| Pc | 1118.77 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2531.00; 2531.00] |
|
|
| Inp | 2531.00 | NIST | |
| Inp | 2531.00 | NIST | |
| Tboil | 629.83 | K | Relay (1.0) Calculated Property |
| Tc | 842.04 | K | Relay (1.0) Calculated Property |
| Tfus | 314.98 | K | Relay (1.0) Calculated Property |
| Vc | 1.124 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(octanoyl)-, 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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