- InChI
- InChI=1S/C11H22N2O2/c1-5-6-7-15-11(14)10(2)8-12-9-13(3)4/h9-10H,5-8H2,1-4H3
- InChI Key
- ITSLBBQPCZTJEH-UHFFFAOYSA-N
- Formula
- C11H22N2O2
- SMILES
- CCCCOC(=O)C(C)CN=CN(C)C
- Molecular Weight1
- 214.30
- 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 | 0.6504 | Relay (1.0) Calculated Property | |
| ΔfG° | -46.44 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -437.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 69.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.556 | Crippen Calculated Property | |
| McVol | 188.950 | ml/mol | McGowan Calculated Property |
| Pc | 1846.75 | kPa | Joback Calculated Property |
| Inp | [1501.00; 1501.00] |
|
|
| Inp | 1501.00 | NIST | |
| Inp | 1501.00 | NIST | |
| Tboil | 543.65 | K | Relay (1.0) Calculated Property |
| Tc | 711.08 | K | Relay (1.0) Calculated Property |
| Tfus | 251.54 | K | Relay (1.0) Calculated Property |
| Vc | 0.702 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to DL-3-Aminoisobutyric acid, N-dimethylaminomethylene-, butyl 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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