- InChI
- InChI=1S/C12H19NO3/c1-3-8(2)12(15)16-11-5-9-4-10(6-11)13(9)7-14/h3,9-11,14H,4-7H2,1-2H3/b8-3+/t9-,10?,11+/m1/s1
- InChI Key
- YZYCRXXESNKCSF-VSXIURAQSA-N
- Formula
- C12H19NO3
- SMILES
- CC=C(C)C(=O)OC1CC2CC(C1)N2CO
- Molecular Weight1
- 225.28
- 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 | 0.6573 | Relay (... Calculated Property | |
| ΔfG° | -132.06 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -482.36 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 98.97 | kJ/mol | Relay (... Calculated Property |
| IE | 8.28 | eV | Relay (... Calculated Property |
| log10WS | -1.40 | Relay (... Calculated Property | |
| logPoct/wat | 1.051 | Crippen Calculated Property | |
| McVol | 177.210 | ml/mol | McGowan Calculated Property |
| Pc | 2456.65 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 1756.00 | NIST | |
| Tboil | 569.62 | K | Relay (... Calculated Property |
| Tc | 844.92 | K | Relay (... Calculated Property |
| Tfus | 459.49 | K | Relay (... Calculated Property |
| Vc | 0.629 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 3«alpha»-Tigloiloxy-6«beta»-hydroxytropane.
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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