![[(3R)-7-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (E)-3-methylpent-2-enoate](/cid/29-453-7/3R-7-Hydroxy-8-methyl-8-azabicyclo-3-2-1-octan-3-yl-E-3-methylpent-2-enoate.png "[(3R)-7-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (E)-3-methylpent-2-enoate")
- InChI
- InChI=1S/C14H23NO3/c1-4-9(2)5-14(17)18-11-6-10-7-13(16)12(8-11)15(10)3/h4,10-13,16H,5-8H2,1-3H3/b9-4+/t10?,11-,12?,13?/m0/s1
- InChI Key
- SIRHVTNTYJCTPI-SCEAUGIDSA-N
- Formula
- C14H23NO3
- SMILES
-
CC=C(C)CC(=O)OC1CC2CC(O)C(C1)N
2C - Molecular Weight1
- 253.34
- 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 | 0.6471 | Relay (1.0) Calculated Property | |
| ΔfG° | -154.34 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -610.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 100.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.482 | Crippen Calculated Property | |
| McVol | 205.390 | ml/mol | McGowan Calculated Property |
| Pc | 1882.68 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1910.00 | NIST | |
| Tboil | 590.81 | K | Relay (1.0) Calculated Property |
| Tc | 833.46 | K | Relay (1.0) Calculated Property |
| Tfus | 407.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.735 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![8-Azabicyclo[3.2.1]octane-3,6-diol, 8-methyl-, 3-acetate.](data:image/png;base64,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)
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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