- InChI
- InChI=1S/C19H19Br2NO2/c1-13(2)11-12-22(18(23)14-7-3-5-9-16(14)20)19(24)15-8-4-6-10-17(15)21/h3-10,13H,11-12H2,1-2H3
- InChI Key
- CHZOVBDEBYJQCV-UHFFFAOYSA-N
- Formula
- C19H19Br2NO2
- SMILES
-
CC(C)CCN(C(=O)c1ccccc1Br)C(=O)
c1ccccc1Br - Molecular Weight1
- 453.17
- 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).
- 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 | 0.7897 | Relay (1.0) Calculated Property | |
| ΔfG° | 193.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -220.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.540 | Crippen Calculated Property | |
| McVol | 279.170 | ml/mol | McGowan Calculated Property |
| Pc | 2183.60 | kPa | Joback Calculated Property |
| Inp | [2753.00; 2753.00] |
|
|
| Inp | 2753.00 | NIST | |
| Inp | 2753.00 | NIST | |
| Tboil | 688.61 | K | Relay (1.0) Calculated Property |
| Tc | 957.57 | K | Relay (1.0) Calculated Property |
| Tfus | 367.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.960 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [776.71; 837.98] | J/mol×K | [949.50; 1199.01] |
|
| Cp,gas | 776.71 | J/mol×K | 949.50 | Joback Calculated Property |
| Cp,gas | 788.72 | J/mol×K | 991.08 | Joback Calculated Property |
| Cp,gas | 799.83 | J/mol×K | 1032.67 | Joback Calculated Property |
| Cp,gas | 810.19 | J/mol×K | 1074.25 | Joback Calculated Property |
| Cp,gas | 819.91 | J/mol×K | 1115.84 | Joback Calculated Property |
| Cp,gas | 829.13 | J/mol×K | 1157.42 | Joback Calculated Property |
| Cp,gas | 837.98 | J/mol×K | 1199.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 2-bromo-N-(2-bromobenzoyl)-N-(3-methylbutyl)-.
Sources
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