- InChI
- InChI=1S/C11H19NO2/c1-3-11(13)14-10-6-8-4-5-9(7-10)12(8)2/h8-10H,3-7H2,1-2H3/t8-,9+,10+
- InChI Key
- NUFSBXOAMBFLRJ-MYJAWHEDSA-N
- Formula
- C11H19NO2
- SMILES
- CCC(=O)OC1CC2CCC(C1)N2C
- Molecular Weight1
- 197.27
- 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 | 0.4957 | Relay (... Calculated Property | |
| ΔfG° | -124.04 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -432.76 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 67.86 | kJ/mol | Relay (... Calculated Property |
| IE | 7.98 | eV | Relay (... Calculated Property |
| log10WS | -0.74 | Relay (... Calculated Property | |
| logPoct/wat | 1.565 | Crippen Calculated Property | |
| McVol | 161.550 | ml/mol | McGowan Calculated Property |
| Pc | 2403.67 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 1405.00 | NIST | |
| Tboil | 518.00 | K | Relay (... Calculated Property |
| Tc | 755.33 | K | Relay (... Calculated Property |
| Tfus | 357.47 | K | Relay (... Calculated Property |
| Vc | 0.594 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 3«alpha»-Propionyloxytropane.
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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