- InChI
- InChI=1S/C22H38N2O/c1-3-5-7-9-11-13-19-24(20-14-12-10-8-6-4-2)22(25)21-15-17-23-18-16-21/h15-18H,3-14,19-20H2,1-2H3
- InChI Key
- SQSMOCDVJZOEHJ-UHFFFAOYSA-N
- Formula
- C22H38N2O
- SMILES
-
CCCCCCCCN(CCCCCCCC)C(=O)c1ccnc
c1 - Molecular Weight1
- 346.55
- 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 | 1.0015 | Relay (1.0) Calculated Property | |
| ΔfG° | 225.63 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -346.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 105.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.245 | Crippen Calculated Property | |
| McVol | 318.610 | ml/mol | McGowan Calculated Property |
| Pc | 1121.43 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2564.00; 2564.00] |
|
|
| Inp | 2564.00 | NIST | |
| Inp | 2564.00 | NIST | |
| Tboil | 658.30 | K | Relay (1.0) Calculated Property |
| Tc | 876.91 | K | Relay (1.0) Calculated Property |
| Tfus | 326.70 | K | Relay (1.0) Calculated Property |
| Vc | 1.199 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Isonicotinamide, N,N-dioctyl-.
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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