- InChI
- InChI=1S/C12H23N3O3/c1-9(2)6-10(12(17)18-5)14-11(16)7-13-8-15(3)4/h8-10H,6-7H2,1-5H3,(H,14,16)
- InChI Key
- LGDUCGWCEIRDII-UHFFFAOYSA-N
- Formula
- C12H23N3O3
- SMILES
-
COC(=O)C(CC(C)C)NC(=O)CN=CN(C)
C - Molecular Weight1
- 257.33
- 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 | 0.7159 | Relay (1.0) Calculated Property | |
| ΔfG° | -60.05 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -554.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 83.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.280 | Crippen Calculated Property | |
| McVol | 214.590 | ml/mol | McGowan Calculated Property |
| Pc | 1827.85 | kPa | Joback Calculated Property |
| Inp | [1921.00; 1921.00] |
|
|
| Inp | 1921.00 | NIST | |
| Inp | 1921.00 | NIST | |
| Tboil | 572.69 | K | Relay (1.0) Calculated Property |
| Tc | 774.03 | K | Relay (1.0) Calculated Property |
| Tfus | 352.36 | K | Relay (1.0) Calculated Property |
| Vc | 0.755 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Gly-Leu, N-dimethylaminomethylene-, methyl ester.
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
- Joback Method
- McGowan Method
- NIST Webbook
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