- InChI
- InChI=1S/C15H20N2O2/c1-2-3-14-13-6-11(9-17(14)10-18)8-16-5-4-12(19)7-15(13)16/h2,4-5,10-11,13-15H,1,3,6-9H2/t11?,13?,14-,15+/m1/s1
- InChI Key
- WASGYVQSAZPDIT-AXVKAWJUSA-N
- Formula
- C15H20N2O2
- SMILES
-
C=CCC1C2CC(CN1C=O)CN1C=CC(=O)C
C21 - Molecular Weight1
- 260.33
- 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 | 0.4953 | Relay (1.0) Calculated Property | |
| ΔfG° | 166.42 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -240.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 109.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.196 | Crippen Calculated Property | |
| McVol | 204.130 | ml/mol | McGowan Calculated Property |
| Pc | 2110.73 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2530.00; 2543.00] |
|
|
| Inp | 2543.00 | NIST | |
| Inp | 2530.00 | NIST | |
| Inp | 2543.00 | NIST | |
| Tboil | 643.72 | K | Relay (1.0) Calculated Property |
| Tc | 917.14 | K | Relay (1.0) Calculated Property |
| Tfus | 400.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.687 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to N-Formylalbine.
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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