- InChI
- InChI=1S/C13H18BrNO/c1-2-3-4-5-9-15-13(16)11-7-6-8-12(14)10-11/h6-8,10H,2-5,9H2,1H3,(H,15,16)
- InChI Key
- JKUIPWXCVWSAIF-UHFFFAOYSA-N
- Formula
- C13H18BrNO
- SMILES
- CCCCCCNC(=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° | 136.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -119.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.09 | kJ/mol | Joback Calculated Property |
| log10WS | -5.07 | Crippen Calculated Property | |
| logPoct/wat | 3.759 | Crippen Calculated Property | |
| McVol | 199.320 | ml/mol | McGowan Calculated Property |
| Pc | 2487.55 | kPa | Joback Calculated Property |
| Inp | [2163.00; 2163.00] |
|
|
| Inp | 2163.00 | NIST | |
| Inp | 2163.00 | NIST | |
| Tboil | 698.70 | K | Joback Calculated Property |
| Tc | 915.58 | K | Joback Calculated Property |
| Tfus | 437.60 | K | Joback Calculated Property |
| Vc | 0.758 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [510.74; 582.57] | J/mol×K | [698.70; 915.58] |
|
| Cp,gas | 510.74 | J/mol×K | 698.70 | Joback Calculated Property |
| Cp,gas | 524.84 | J/mol×K | 734.85 | Joback Calculated Property |
| Cp,gas | 538.03 | J/mol×K | 770.99 | Joback Calculated Property |
| Cp,gas | 550.34 | J/mol×K | 807.14 | Joback Calculated Property |
| Cp,gas | 561.84 | J/mol×K | 843.29 | Joback Calculated Property |
| Cp,gas | 572.56 | J/mol×K | 879.43 | Joback Calculated Property |
| Cp,gas | 582.57 | J/mol×K | 915.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-bromo-N-hexyl-.
Sources
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