- InChI
- InChI=1S/C20H21Br2NO2/c1-2-3-4-9-14-23(19(24)15-10-5-7-12-17(15)21)20(25)16-11-6-8-13-18(16)22/h5-8,10-13H,2-4,9,14H2,1H3
- InChI Key
- BNNSCAOPZBGLFL-UHFFFAOYSA-N
- Formula
- C20H21Br2NO2
- SMILES
-
CCCCCCN(C(=O)c1ccccc1Br)C(=O)c
1ccccc1Br - Molecular Weight1
- 467.19
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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).
- 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 | 0.8779 | Relay (1.0) Calculated Property | |
| ΔfG° | 204.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -227.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.075 | Crippen Calculated Property | |
| McVol | 293.260 | ml/mol | McGowan Calculated Property |
| Pc | 1985.89 | kPa | Joback Calculated Property |
| Tboil | 697.82 | K | Relay (1.0) Calculated Property |
| Tc | 967.18 | K | Relay (1.0) Calculated Property |
| Tfus | 353.88 | K | Relay (1.0) Calculated Property |
| Vc | 1.025 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [833.96; 897.39] | J/mol×K | [972.82; 1216.80] | 
|
| Cp,gas | 833.96 | J/mol×K | 972.82 | Joback Calculated Property |
| Cp,gas | 846.18 | J/mol×K | 1013.48 | Joback Calculated Property |
| Cp,gas | 857.57 | J/mol×K | 1054.15 | Joback Calculated Property |
| Cp,gas | 868.27 | J/mol×K | 1094.81 | Joback Calculated Property |
| Cp,gas | 878.38 | J/mol×K | 1135.48 | Joback Calculated Property |
| Cp,gas | 888.05 | J/mol×K | 1176.14 | Joback Calculated Property |
| Cp,gas | 897.39 | J/mol×K | 1216.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 2-bromo-N-(2-bromobenzoyl)-N-hexyl-.
Sources
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