- InChI
- InChI=1S/C20H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-20(22)19(2)3/h19H,4-18H2,1-3H3,(H,21,22)
- InChI Key
- ZNXFIGSGUDJXIF-UHFFFAOYSA-N
- Formula
- C20H41NO
- SMILES
- CCCCCCCCCCCCCCCCN=C(O)C(C)C
- Molecular Weight1
- 311.55
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -541.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.80 | kJ/mol | Joback Calculated Property |
| log10WS | -6.94 | Crippen Calculated Property | |
| logPoct/wat | 7.080 | Crippen Calculated Property | |
| McVol | 304.210 | ml/mol | McGowan Calculated Property |
| Pc | 1015.53 | kPa | Joback Calculated Property |
| Inp | [2410.00; 2410.00] |
|
|
| Inp | 2410.00 | NIST | |
| Inp | 2410.00 | NIST | |
| Tboil | 825.30 | K | Joback Calculated Property |
| Tc | 1011.44 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isobutyramide, N-hexadecyl-.
Sources
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