- InChI
- InChI=1S/C8H15NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h7H,3-6H2,1-2H3
- InChI Key
- LLEOWWWENNCINW-UHFFFAOYSA-N
- Formula
- C8H15NO2
- SMILES
- COC(=O)C1CCCN(C)C1
- Molecular Weight1
- 157.21
- CAS
- 1690-72-8
- 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 | 0.4142 | Relay (1.0) Calculated Property | |
| ΔfG° | -122.61 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -385.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 63.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.55 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.501 | Crippen Calculated Property | |
| McVol | 130.140 | ml/mol | McGowan Calculated Property |
| Pc | 2977.98 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1148.80; 1148.80] |
|
|
| Inp | 1148.80 | NIST | |
| Inp | 1148.80 | NIST | |
| Tboil | 460.80 | K | Relay (1.0) Calculated Property |
| Tc | 674.02 | K | Relay (1.0) Calculated Property |
| Tfus | 277.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.458 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Dihydroarecoline.
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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