- InChI
- InChI=1S/C20H34N2O/c1-3-5-7-9-11-17-22(18-12-10-8-6-4-2)20(23)19-13-15-21-16-14-19/h13-16H,3-12,17-18H2,1-2H3
- InChI Key
- NVRWTGYHNXQINS-UHFFFAOYSA-N
- Formula
- C20H34N2O
- SMILES
- CCCCCCCN(CCCCCCC)C(=O)c1ccncc1
- Molecular Weight1
- 318.50
- 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 | 0.9297 | Relay (1.0) Calculated Property | |
| ΔfG° | 211.08 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -302.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 98.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.465 | Crippen Calculated Property | |
| McVol | 290.430 | ml/mol | McGowan Calculated Property |
| Pc | 1304.02 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2366.00; 2366.00] |
|
|
| Inp | 2366.00 | NIST | |
| Inp | 2366.00 | NIST | |
| Tboil | 645.08 | K | Relay (1.0) Calculated Property |
| Tc | 862.44 | K | Relay (1.0) Calculated Property |
| Tfus | 323.83 | K | Relay (1.0) Calculated Property |
| Vc | 1.089 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Isonicotinamide, N,N-diheptyl-.
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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