- InChI
- InChI=1S/C13H21NO2/c1-4-9(2)13(15)16-12-7-10-5-6-11(8-12)14(10)3/h4,10-12H,5-8H2,1-3H3/b9-4+
- InChI Key
- UVHGSMZRSVGWDJ-RUDMXATFSA-N
- Formula
- C13H21NO2
- SMILES
- CC=C(C)C(=O)OC1CC2CCC(C1)N2C
- Molecular Weight1
- 223.31
- CAS
- 533-08-4
- 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 | 0.4968 | Relay (1.0) Calculated Property | |
| ΔfG° | -41.94 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -386.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 76.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.121 | Crippen Calculated Property | |
| McVol | 185.430 | ml/mol | McGowan Calculated Property |
| Pc | 2131.78 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1917.30; 1917.30] |
|
|
| Inp | 1917.30 | NIST | |
| Inp | 1917.30 | NIST | |
| Tboil | 546.35 | K | Relay (1.0) Calculated Property |
| Tc | 795.18 | K | Relay (1.0) Calculated Property |
| Tfus | 376.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.666 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3«alpha»-(Tigloyloxy)tropane.
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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