- InChI
- InChI=1S/C17H32N2O4/c1-5-7-12-22-16(20)11-9-10-15(18-14-19(3)4)17(21)23-13-8-6-2/h14-15H,5-13H2,1-4H3
- InChI Key
- UEDWUWJAAVUUBK-UHFFFAOYSA-N
- Formula
- C17H32N2O4
- SMILES
-
CCCCOC(=O)CCCC(N=CN(C)C)C(=O)O
CCCC - Molecular Weight1
- 328.45
- 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 | 0.9197 | Relay (... Calculated Property | |
| ΔfG° | -218.40 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -851.18 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 88.98 | kJ/mol | Relay (... Calculated Property |
| IE | 7.64 | eV | Relay (... Calculated Property |
| log10WS | -2.65 | Relay (... Calculated Property | |
| logPoct/wat | 2.802 | Crippen Calculated Property | |
| McVol | 280.930 | ml/mol | McGowan Calculated Property |
| Pc | 1225.12 | kPa | Joback Calculated Property |
| Inp | 2204.00 | NIST | |
| Tboil | 621.50 | K | Relay (... Calculated Property |
| Tc | 786.39 | K | Relay (... Calculated Property |
| Tfus | 267.81 | K | Relay (... Calculated Property |
| Vc | 1.045 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to DL-2-Aminoadipic acid, N-dimethylaminomethylene-, dibutyl 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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