- InChI
- InChI=1S/C13H18BrNO/c1-4-15(9-10(2)3)13(16)11-5-7-12(14)8-6-11/h5-8,10H,4,9H2,1-3H3
- InChI Key
- XEUQLXPQGJLYTO-UHFFFAOYSA-N
- Formula
- C13H18BrNO
- SMILES
- CCN(CC(C)C)C(=O)c1ccc(Br)cc1
- Molecular Weight1
- 284.19
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 155.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -110.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.31 | kJ/mol | Joback Calculated Property |
| log10WS | -4.21 | Crippen Calculated Property | |
| logPoct/wat | 3.567 | Crippen Calculated Property | |
| McVol | 199.320 | ml/mol | McGowan Calculated Property |
| Pc | 2470.27 | kPa | Joback Calculated Property |
| Inp | [2046.00; 2046.00] |
|
|
| Inp | 2046.00 | NIST | |
| Inp | 2046.00 | NIST | |
| Tboil | 660.53 | K | Joback Calculated Property |
| Tc | 879.46 | K | Joback Calculated Property |
| Tfus | 402.41 | K | Joback Calculated Property |
| Vc | 0.736 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [497.34; 574.56] | J/mol×K | [660.53; 879.46] |
|
| Cp,gas | 497.34 | J/mol×K | 660.53 | Joback Calculated Property |
| Cp,gas | 512.57 | J/mol×K | 697.02 | Joback Calculated Property |
| Cp,gas | 526.78 | J/mol×K | 733.51 | Joback Calculated Property |
| Cp,gas | 540.03 | J/mol×K | 769.99 | Joback Calculated Property |
| Cp,gas | 552.36 | J/mol×K | 806.48 | Joback Calculated Property |
| Cp,gas | 563.85 | J/mol×K | 842.97 | Joback Calculated Property |
| Cp,gas | 574.56 | J/mol×K | 879.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-bromo-N-ethyl-N-isobutyl-.
Sources
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