- InChI
- InChI=1S/C26H45NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-27-26(28)25-22-19-18-21-24(25)2/h18-19,21-22H,3-17,20,23H2,1-2H3,(H,27,28)
- InChI Key
- ZZRMPRUJLMGKKK-UHFFFAOYSA-N
- Formula
- C26H45NO
- SMILES
-
CCCCCCCCCCCCCCCCCCN=C(O)c1cccc
c1C - Molecular Weight1
- 387.64
- 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 | 1.2726 | Relay (1.0) Calculated Property | |
| ΔfG° | 180.85 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -501.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 148.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.561 | Crippen Calculated Property | |
| McVol | 364.990 | ml/mol | McGowan Calculated Property |
| Pc | 862.01 | kPa | Joback Calculated Property |
| Inp | [3178.00; 3178.00] |
|
|
| Inp | 3178.00 | NIST | |
| Inp | 3178.00 | NIST | |
| Tboil | 682.78 | K | Relay (1.0) Calculated Property |
| Tc | 903.90 | K | Relay (1.0) Calculated Property |
| Tfus | 375.75 | K | Relay (1.0) Calculated Property |
| Vc | 1.371 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 2-methyl-N-octadecyl-.
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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