- InChI
- InChI=1S/C13H18BrNO/c1-3-5-9-15(4-2)13(16)11-7-6-8-12(14)10-11/h6-8,10H,3-5,9H2,1-2H3
- InChI Key
- HTGBUNLKVGREDQ-UHFFFAOYSA-N
- Formula
- C13H18BrNO
- SMILES
- CCCCN(CC)C(=O)c1cccc(Br)c1
- 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° | 157.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -105.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.69 | kJ/mol | Joback Calculated Property |
| log10WS | -4.45 | Crippen Calculated Property | |
| logPoct/wat | 3.711 | Crippen Calculated Property | |
| McVol | 199.320 | ml/mol | McGowan Calculated Property |
| Pc | 2450.74 | kPa | Joback Calculated Property |
| Inp | [2261.00; 2261.00] |
|
|
| Inp | 2261.00 | NIST | |
| Inp | 2261.00 | NIST | |
| Tboil | 660.97 | K | Joback Calculated Property |
| Tc | 875.74 | K | Joback Calculated Property |
| Tfus | 417.41 | K | Joback Calculated Property |
| Vc | 0.742 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [496.84; 572.79] | J/mol×K | [660.97; 875.74] |
|
| Cp,gas | 496.84 | J/mol×K | 660.97 | Joback Calculated Property |
| Cp,gas | 511.75 | J/mol×K | 696.77 | Joback Calculated Property |
| Cp,gas | 525.69 | J/mol×K | 732.56 | Joback Calculated Property |
| Cp,gas | 538.70 | J/mol×K | 768.36 | Joback Calculated Property |
| Cp,gas | 550.85 | J/mol×K | 804.15 | Joback Calculated Property |
| Cp,gas | 562.20 | J/mol×K | 839.95 | Joback Calculated Property |
| Cp,gas | 572.79 | J/mol×K | 875.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-bromo-N-butyl-N-ethyl-.
Sources
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