- InChI
- InChI=1S/C17H31NO3/c1-3-5-7-8-9-12-16(19)18-13-10-11-15(18)17(20)21-14-6-4-2/h15H,3-14H2,1-2H3
- InChI Key
- UKNMACMEQYQFJL-UHFFFAOYSA-N
- Formula
- C17H31NO3
- SMILES
- CCCCCCCC(=O)N1CCCC1C(=O)OCCCC
- Molecular Weight1
- 297.43
- 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 | 0.8273 | Relay (... Calculated Property | |
| ΔfG° | -199.90 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -759.12 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 90.83 | kJ/mol | Relay (... Calculated Property |
| IE | 8.67 | eV | Relay (... Calculated Property |
| log10WS | -3.36 | Relay (... Calculated Property | |
| logPoct/wat | 3.681 | Crippen Calculated Property | |
| McVol | 258.520 | ml/mol | McGowan Calculated Property |
| Pc | 1403.97 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2237.00; 2237.00] |
|
|
| Inp | 2237.00 | NIST | |
| Inp | 2237.00 | NIST | |
| Tboil | 608.25 | K | Relay (... Calculated Property |
| Tc | 814.95 | K | Relay (... Calculated Property |
| Tfus | 301.61 | K | Relay (... Calculated Property |
| Vc | 0.960 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-octanoyl-, butyl 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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