- InChI
- InChI=1S/C20H33N3/c1-2-9-22-13-20-12-15(16(22)6-1)11-14-5-4-10-23(19(14)20)18-8-3-7-17(20)21-18/h14-19,21H,1-13H2/t14?,15?,16?,17?,18?,19?,20-/m0/s1
- InChI Key
- MRLGBUWOAFGOBH-SYRRFROPSA-N
- Formula
- C20H33N3
- SMILES
-
C1CCN2CC34CC(CC5CCCN(C6CCCC3N6
)C54)C2C1 - Molecular Weight1
- 315.50
- 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 | 0.5201 | Relay (... Calculated Property | |
| ΔfG° | 380.24 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -71.91 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 110.75 | kJ/mol | Relay (... Calculated Property |
| IE | 7.04 | eV | Relay (... Calculated Property |
| log10WS | -3.27 | Relay (... Calculated Property | |
| logPoct/wat | 2.813 | Crippen Calculated Property | |
| McVol | 257.440 | ml/mol | McGowan Calculated Property |
| Pc | 847.96 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2618.00; 2618.00] |
|
|
| Inp | 2618.00 | NIST | |
| Inp | 2618.00 | NIST | |
| Tboil | 666.54 | K | Relay (... Calculated Property |
| Tc | 975.80 | K | Relay (... Calculated Property |
| Tfus | 460.62 | K | Relay (... Calculated Property |
| Vc | 0.976 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Panamine I.
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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