- InChI
- InChI=1S/C13H26N2O2/c1-6-8-9-17-13(16)12(11(3)7-2)14-10-15(4)5/h10-12H,6-9H2,1-5H3
- InChI Key
- AQIGFQBULJUEKA-UHFFFAOYSA-N
- Formula
- C13H26N2O2
- SMILES
- CCCCOC(=O)C(N=CN(C)C)C(C)CC
- Molecular Weight1
- 242.36
- 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 | 0.6572 | Relay (... Calculated Property | |
| ΔfG° | -36.87 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -463.30 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 72.10 | kJ/mol | Relay (... Calculated Property |
| IE | 7.64 | eV | Relay (... Calculated Property |
| log10WS | -2.41 | Relay (... Calculated Property | |
| logPoct/wat | 2.334 | Crippen Calculated Property | |
| McVol | 217.130 | ml/mol | McGowan Calculated Property |
| Pc | 1586.01 | kPa | Joback Calculated Property |
| Inp | 1602.00 | NIST | |
| Tboil | 556.03 | K | Relay (... Calculated Property |
| Tc | 727.19 | K | Relay (... Calculated Property |
| Tfus | 258.00 | K | Relay (... Calculated Property |
| Vc | 0.777 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to L-Isoleucine, 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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