- InChI
- InChI=1S/C27H48N2O5/c1-3-5-7-8-9-10-11-16-22-33-26(31)24-18-13-14-19-28(24)25(30)23-17-12-15-20-29(23)27(32)34-21-6-4-2/h23-24H,3-22H2,1-2H3
- InChI Key
- JRPMJQHEKOQDIS-UHFFFAOYSA-N
- Formula
- C27H48N2O5
- SMILES
-
CCCCCCCCCCOC(=O)C1CCCCN1C(=O)C
1CCCCN1C(=O)OCCCC - Molecular Weight1
- 480.68
- 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).
- 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 | 1.1563 | Relay (... Calculated Property | |
| ΔfG° | -200.38 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -1204.63 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 131.05 | kJ/mol | Relay (... Calculated Property |
| IE | 8.49 | eV | Relay (... Calculated Property |
| log10WS | -5.24 | Relay (... Calculated Property | |
| logPoct/wat | 5.843 | Crippen Calculated Property | |
| McVol | 405.980 | ml/mol | McGowan Calculated Property |
| Pc | 350.90 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3317.00; 3317.00] |
|
|
| Inp | 3317.00 | NIST | |
| Inp | 3317.00 | NIST | |
| Tboil | 715.94 | K | Relay (... Calculated Property |
| Tc | 955.67 | K | Relay (... Calculated Property |
| Tfus | 343.47 | K | Relay (... Calculated Property |
| Vc | 1.496 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Pipecolylpipecolic acid, N-butoxycarbonyl-, decyl 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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