- InChI
- InChI=1S/C12H18N2O/c1-10(15)14-8-4-5-11(9-14)12-6-2-3-7-13-12/h9H,2-8H2,1H3
- InChI Key
- VGALILHZAQZXRB-UHFFFAOYSA-N
- Formula
- C12H18N2O
- SMILES
- CC(=O)N1C=C(C2=NCCCC2)CCC1
- Molecular Weight1
- 206.28
- CAS
- 52195-93-4
- Other Names
-
- N-Acetylhystrine
- 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 | 0.4859 | Relay (... Calculated Property | |
| ΔfG° | 135.10 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -182.15 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 81.43 | kJ/mol | Relay (... Calculated Property |
| IE | 8.22 | eV | Relay (... Calculated Property |
| log10WS | -0.63 | Relay (... Calculated Property | |
| logPoct/wat | 2.137 | Crippen Calculated Property | |
| McVol | 171.150 | ml/mol | McGowan Calculated Property |
| Pc | 2535.25 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1932.00; 1935.00] |
|
|
| Inp | 1935.00 | NIST | |
| Inp | 1932.00 | NIST | |
| Inp | 1932.00 | NIST | |
| Tboil | 590.13 | K | Relay (... Calculated Property |
| Tc | 838.67 | K | Relay (... Calculated Property |
| Tfus | 351.74 | K | Relay (... Calculated Property |
| Vc | 0.611 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2,3'-Bipyridine, 1'-acetyl-1',3,4,4',5,5',6,6'-octahydro-.
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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