- InChI
- InChI=1S/C11H18N2O/c1-7(2)6-10-11(14)13(5)9(4)8(3)12-10/h7H,6H2,1-5H3
- InChI Key
- RILXBJSXFPLPKB-UHFFFAOYSA-N
- Formula
- C11H18N2O
- SMILES
- Cc1nc(CC(C)C)c(=O)n(C)c1C
- Molecular Weight1
- 194.27
- 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 | 0.5721 | Relay (... Calculated Property | |
| ΔfG° | 90.97 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -175.56 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 74.00 | kJ/mol | Relay (... Calculated Property |
| IE | 8.11 | eV | Relay (... Calculated Property |
| log10WS | -0.69 | Relay (... Calculated Property | |
| logPoct/wat | 1.596 | Crippen Calculated Property | |
| McVol | 167.920 | ml/mol | McGowan Calculated Property |
| Pc | 2306.17 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1638.00; 1638.00] |
|
|
| Inp | 1638.00 | NIST | |
| Inp | 1638.00 | NIST | |
| Tboil | 555.37 | K | Relay (... Calculated Property |
| Tc | 764.98 | K | Relay (... Calculated Property |
| Tfus | 357.34 | K | Relay (... Calculated Property |
| Vc | 0.628 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
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)
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