- InChI
- InChI=1S/C15H22N2O/c1-3-4-14-13-7-11(9-16(14)2)10-17-6-5-12(18)8-15(13)17/h3,5-6,11,13-15H,1,4,7-10H2,2H3/t11?,13?,14-,15+/m1/s1
- InChI Key
- HPMYEIHKHIJZJW-AXVKAWJUSA-N
- Formula
- C15H22N2O
- SMILES
-
C=CCC1C2CC(CN1C)CN1C=CC(=O)CC2
1 - Molecular Weight1
- 246.35
- 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 | 0.4484 | Relay (... Calculated Property | |
| ΔfG° | 238.64 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -128.63 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 98.17 | kJ/mol | Relay (... Calculated Property |
| IE | 7.59 | eV | Relay (... Calculated Property |
| log10WS | -1.50 | Relay (... Calculated Property | |
| logPoct/wat | 1.670 | Crippen Calculated Property | |
| McVol | 202.560 | ml/mol | McGowan Calculated Property |
| Pc | 1908.93 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2215.00; 2220.00] |
|
|
| Inp | 2215.00 | NIST | |
| Inp | 2220.00 | NIST | |
| Inp | 2215.00 | NIST | |
| Tboil | 622.17 | K | Relay (... Calculated Property |
| Tc | 860.03 | K | Relay (... Calculated Property |
| Tfus | 401.17 | K | Relay (... Calculated Property |
| Vc | 0.689 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to N-Methylalbine.
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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