- InChI
- InChI=1S/C25H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-29-25(28)23-17-16-20-26(23)24(27)22-18-19-22/h22-23H,2-21H2,1H3
- InChI Key
- ZGFBZKLOWCQHLG-UHFFFAOYSA-N
- Formula
- C25H45NO3
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)C1CCCN1C
(=O)C1CC1 - Molecular Weight1
- 407.63
- 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 | 1.0954 | Relay (1.0) Calculated Property | |
| ΔfG° | -103.42 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -871.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 125.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.412 | Crippen Calculated Property | |
| McVol | 360.380 | ml/mol | McGowan Calculated Property |
| Pc | 626.17 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3146.00; 3146.00] |
|
|
| Inp | 3146.00 | NIST | |
| Inp | 3146.00 | NIST | |
| Tboil | 664.67 | K | Relay (1.0) Calculated Property |
| Tc | 904.31 | K | Relay (1.0) Calculated Property |
| Tfus | 342.53 | K | Relay (1.0) Calculated Property |
| Vc | 1.382 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-Proline, N-(cyclopropylcarbonyl)-, hexadecyl 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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