- InChI
- InChI=1S/C11H15NO/c1-7-8(2)12-6-4-5-10(12)11(7)9(3)13/h4-6H2,1-3H3
- InChI Key
- BJTRWJSVQKOMJY-UHFFFAOYSA-N
- Formula
- C11H15NO
- SMILES
- CC(=O)c1c(C)c(C)n2c1CCC2
- Molecular Weight1
- 177.24
- 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 | 0.5671 | Relay (1.0) Calculated Property | |
| ΔfG° | 53.97 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -176.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 69.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.254 | Crippen Calculated Property | |
| McVol | 147.080 | ml/mol | McGowan Calculated Property |
| Pc | 2696.22 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1778.00; 1778.00] |
|
|
| Inp | 1778.00 | NIST | |
| Inp | 1778.00 | NIST | |
| Tboil | 555.17 | K | Relay (1.0) Calculated Property |
| Tc | 812.16 | K | Relay (1.0) Calculated Property |
| Tfus | 389.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.561 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 7-acetyl-5,6-dimethyl-2,3-dihydro-(1H)-pyrrolizine.
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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