- InChI
- InChI=1S/C19H35NO3/c1-4-5-6-7-8-13-18(21)20-14-9-12-17(20)19(22)23-15-10-11-16(2)3/h16-17H,4-15H2,1-3H3
- InChI Key
- JFESWNUQCDCDMZ-UHFFFAOYSA-N
- Formula
- C19H35NO3
- SMILES
-
CCCCCCCC(=O)N1CCCC1C(=O)OCCCC(
C)C - Molecular Weight1
- 325.49
- 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 | 0.8636 | Relay (... Calculated Property | |
| ΔfG° | -187.15 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -818.07 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 93.64 | kJ/mol | Relay (... Calculated Property |
| IE | 8.77 | eV | Relay (... Calculated Property |
| log10WS | -4.00 | Relay (... Calculated Property | |
| logPoct/wat | 4.317 | Crippen Calculated Property | |
| McVol | 286.700 | ml/mol | McGowan Calculated Property |
| Pc | 1134.39 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2379.00; 2379.00] |
|
|
| Inp | 2379.00 | NIST | |
| Inp | 2379.00 | NIST | |
| Tboil | 624.24 | K | Relay (... Calculated Property |
| Tc | 827.21 | K | Relay (... Calculated Property |
| Tfus | 307.98 | K | Relay (... Calculated Property |
| Vc | 1.059 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(octanoyl)-, isohexyl 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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