- InChI
- InChI=1S/C23H43NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-28-22(25)21-18-17-19-24(21)23(26)27-2/h21H,3-20H2,1-2H3
- InChI Key
- GTZKECDWTZCJRV-UHFFFAOYSA-N
- Formula
- C23H43NO4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)C1CCCN1C
(=O)OC - Molecular Weight1
- 397.59
- 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 | 1.0906 | Relay (... Calculated Property | |
| ΔfG° | -198.89 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1044.56 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 123.84 | kJ/mol | Relay (... Calculated Property |
| IE | 9.12 | eV | Relay (... Calculated Property |
| log10WS | -5.92 | Relay (... Calculated Property | |
| logPoct/wat | 6.242 | Crippen Calculated Property | |
| McVol | 348.930 | ml/mol | McGowan Calculated Property |
| Pc | 805.18 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2679.00 | NIST | |
| Tboil | 652.30 | K | Relay (... Calculated Property |
| Tc | 862.75 | K | Relay (... Calculated Property |
| Tfus | 330.52 | K | Relay (... Calculated Property |
| Vc | 1.320 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to d-Proline, N-methoxycarbonyl-, 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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