- InChI
- InChI=1S/C29H55NO4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-33-28(31)27-23-20-21-24-30(27)29(32)34-25-6-4-2/h27H,3-26H2,1-2H3
- InChI Key
- FIYFPPLSJVLGKX-UHFFFAOYSA-N
- Formula
- C29H55NO4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)C1CCCC
N1C(=O)OCCCC - Molecular Weight1
- 481.75
- 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 | 1.2771 | Relay (1.0) Calculated Property | |
| ΔfG° | -173.13 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1169.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 139.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.582 | Crippen Calculated Property | |
| McVol | 433.470 | ml/mol | McGowan Calculated Property |
| Pc | 348.18 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3387.00; 3387.00] |
|
|
| Inp | 3387.00 | NIST | |
| Inp | 3387.00 | NIST | |
| Tboil | 699.23 | K | Relay (1.0) Calculated Property |
| Tc | 905.91 | K | Relay (1.0) Calculated Property |
| Tfus | 324.30 | K | Relay (1.0) Calculated Property |
| Vc | 1.635 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pipecolic acid, N-butoxycarbonyl-, 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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