- InChI
- InChI=1S/C21H39NO3/c1-5-6-7-8-9-10-11-12-13-17-25-19(23)18-15-14-16-22(18)20(24)21(2,3)4/h18H,5-17H2,1-4H3
- InChI Key
- APUZBAIHSOYBAO-UHFFFAOYSA-N
- Formula
- C21H39NO3
- SMILES
-
CCCCCCCCCCCOC(=O)C1CCCN1C(=O)C
(C)(C)C - Molecular Weight1
- 353.54
- 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 | 0.9079 | Relay (... Calculated Property | |
| ΔfG° | -147.14 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -843.19 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 98.86 | kJ/mol | Relay (... Calculated Property |
| IE | 8.58 | eV | Relay (... Calculated Property |
| log10WS | -4.99 | Relay (... Calculated Property | |
| logPoct/wat | 5.097 | Crippen Calculated Property | |
| McVol | 314.880 | ml/mol | McGowan Calculated Property |
| Pc | 779.04 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2522.00; 2522.00] |
|
|
| Inp | 2522.00 | NIST | |
| Inp | 2522.00 | NIST | |
| Tboil | 619.34 | K | Relay (... Calculated Property |
| Tc | 838.21 | K | Relay (... Calculated Property |
| Tfus | 306.40 | K | Relay (... Calculated Property |
| Vc | 1.187 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-pivaloyl-, undecyl 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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