- InChI
- InChI=1S/C7H14N2O2/c1-4-6(7(10)11)8-5-9(2)3/h5-6H,4H2,1-3H3,(H,10,11)
- InChI Key
- BMEURMJOEKBLPS-UHFFFAOYSA-N
- Formula
- C7H14N2O2
- SMILES
- CCC(N=CN(C)C)C(=O)O
- Molecular Weight1
- 158.20
- 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 | 0.6896 | Relay (1.0) Calculated Property | |
| ΔfG° | -104.55 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -373.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 74.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.97e-03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.439 | Crippen Calculated Property | |
| McVol | 132.590 | ml/mol | McGowan Calculated Property |
| Pc | 2973.04 | kPa | Joback Calculated Property |
| Inp | [1441.00; 1441.00] |
|
|
| Inp | 1441.00 | NIST | |
| Inp | 1441.00 | NIST | |
| Tboil | 527.83 | K | Relay (1.0) Calculated Property |
| Tc | 709.84 | K | Relay (1.0) Calculated Property |
| Tfus | 372.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.472 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to L-2-Aminobutyric acid, N-dimethylaminomethylene-.
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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