- InChI
- InChI=1S/C27H49NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-31-26(29)25-21-20-22-28(25)27(30)32-23-4-2/h4,25H,2-3,5-24H2,1H3
- InChI Key
- UJAZGKQSPSFGNX-UHFFFAOYSA-N
- Formula
- C27H49NO4
- SMILES
-
C=CCOC(=O)N1CCCC1C(=O)OCCCCCCC
CCCCCCCCCCC - Molecular Weight1
- 451.68
- 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).
- 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 | 1.1991 | Relay (1.0) Calculated Property | |
| ΔfG° | -113.69 | kJ/mol | Relay (1.0-beta) Calculated Property ⚠️ |
| ΔfH°gas | -1032.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 133.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.578 | Crippen Calculated Property | |
| McVol | 400.990 | ml/mol | McGowan Calculated Property |
| Pc | 462.41 | kPa | Relay (1.0-beta) Calculated Property ⚠️ |
| Tboil | 702.07 | K | Relay (1.0) Calculated Property |
| Tc | 893.80 | K | Relay (1.0) Calculated Property |
| Tfus | 313.35 | K | Relay (1.0) Calculated Property |
| Vc | 1.488 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to d-Proline, N-allyloxycarbonyl-, octadecyl 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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