- InChI
- InChI=1S/C25H42BrNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-27-25(28)23-19-18-20-24(26)22-23/h18-20,22H,2-17,21H2,1H3,(H,27,28)
- InChI Key
- UAEFEKPSYMWCKE-UHFFFAOYSA-N
- Formula
- C25H42BrNO
- SMILES
-
CCCCCCCCCCCCCCCCCCN=C(O)c1cccc
(Br)c1 - Molecular Weight1
- 452.51
- 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 | 1.2733 | Relay (1.0) Calculated Property | |
| ΔfG° | 156.70 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -480.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 154.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.015 | Crippen Calculated Property | |
| McVol | 368.400 | ml/mol | McGowan Calculated Property |
| Pc | 952.01 | kPa | Joback Calculated Property |
| Inp | [3475.00; 3475.00] |
|
|
| Inp | 3475.00 | NIST | |
| Inp | 3475.00 | NIST | |
| Tboil | 705.64 | K | Relay (1.0) Calculated Property |
| Tc | 924.00 | K | Relay (1.0) Calculated Property |
| Tfus | 367.72 | K | Relay (1.0) Calculated Property |
| Vc | 1.358 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-bromo-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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