- InChI
- InChI=1S/C26H46N2O/c1-3-5-7-9-11-13-15-17-23-28(26(29)25-19-21-27-22-20-25)24-18-16-14-12-10-8-6-4-2/h19-22H,3-18,23-24H2,1-2H3
- InChI Key
- YDQMMWYGUPPADS-UHFFFAOYSA-N
- Formula
- C26H46N2O
- SMILES
-
CCCCCCCCCCN(CCCCCCCCCC)C(=O)c1
ccncc1 - Molecular Weight1
- 402.66
- 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 | 1.1435 | Relay (1.0) Calculated Property | |
| ΔfG° | 254.89 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -434.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 121.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.805 | Crippen Calculated Property | |
| McVol | 374.970 | ml/mol | McGowan Calculated Property |
| Pc | 768.23 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2997.00; 2997.00] |
|
|
| Inp | 2997.00 | NIST | |
| Inp | 2997.00 | NIST | |
| Tboil | 683.76 | K | Relay (1.0) Calculated Property |
| Tc | 903.76 | K | Relay (1.0) Calculated Property |
| Tfus | 334.39 | K | Relay (1.0) Calculated Property |
| Vc | 1.420 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Isonicotinamide, N,N-didecyl-.
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
- McGowan Method
- NIST Webbook
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