- InChI
- InChI=1S/C17H27NO6/c1-10(2)17(22,11(3)19)16(21)23-9-13-5-7-18-8-6-14(15(13)18)24-12(4)20/h5,10-11,14-15,19,22H,6-9H2,1-4H3/t11-,14+,15+,17?/m1/s1
- InChI Key
- RKDOFSJTBIDAHX-OJBCNAABSA-N
- Formula
- C17H27NO6
- SMILES
-
CC(=O)OC1CCN2CC=C(COC(=O)C(O)(
C(C)C)C(C)O)C12 - Molecular Weight1
- 341.40
- 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 | 0.9178 | Relay (1.0) Calculated Property | |
| ΔfG° | -514.34 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1040.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 117.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.244 | Crippen Calculated Property | |
| McVol | 260.970 | ml/mol | McGowan Calculated Property |
| Pc | 1433.93 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2230.00; 2239.00] |
|
|
| Inp | 2230.00 | NIST | |
| Inp | 2230.00 | NIST | |
| Inp | 2239.00 | NIST | |
| Inp | 2239.00 | NIST | |
| Tboil | 609.83 | K | Relay (1.0) Calculated Property |
| Tc | 874.12 | K | Relay (1.0) Calculated Property |
| Tfus | 399.73 | K | Relay (1.0) Calculated Property |
| Vc | 0.942 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 7-acetyllycopsamine.
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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