- InChI
- InChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3/t9-,10+,11+
- InChI Key
- UAINLAXRDPKCOO-URLYPYJESA-N
- Formula
- C12H21NO2
- SMILES
- CC(C)C(=O)OC1CC2CCC(C1)N2C
- Molecular Weight1
- 211.30
- 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 | 0.5064 | Relay (1.0) Calculated Property | |
| ΔfG° | -115.12 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -463.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 68.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.811 | Crippen Calculated Property | |
| McVol | 175.640 | ml/mol | McGowan Calculated Property |
| Pc | 2113.72 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1455.00 | NIST | |
| Tboil | 519.70 | K | Relay (1.0) Calculated Property |
| Tc | 761.41 | K | Relay (1.0) Calculated Property |
| Tfus | 355.91 | K | Relay (1.0) Calculated Property |
| Vc | 0.653 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3«alpha»-Isobutyroxytropane.
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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