- InChI
- InChI=1S/C15H22BrNO/c1-4-5-9-17(11-12(2)3)15(18)13-7-6-8-14(16)10-13/h6-8,10,12H,4-5,9,11H2,1-3H3
- InChI Key
- VLPNMUNBRFBIGZ-UHFFFAOYSA-N
- Formula
- C15H22BrNO
- SMILES
- CCCCN(CC(C)C)C(=O)c1cccc(Br)c1
- Molecular Weight1
- 312.25
- 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° | 171.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -151.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.76 | kJ/mol | Joback Calculated Property |
| log10WS | -5.05 | Crippen Calculated Property | |
| logPoct/wat | 4.347 | Crippen Calculated Property | |
| McVol | 227.500 | ml/mol | McGowan Calculated Property |
| Pc | 2058.62 | kPa | Joback Calculated Property |
| Inp | [2420.00; 2420.00] |
|
|
| Inp | 2420.00 | NIST | |
| Inp | 2420.00 | NIST | |
| Tboil | 706.29 | K | Joback Calculated Property |
| Tc | 918.43 | K | Joback Calculated Property |
| Tfus | 424.95 | K | Joback Calculated Property |
| Vc | 0.848 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [602.77; 684.54] | J/mol×K | [706.29; 918.43] |
|
| Cp,gas | 602.77 | J/mol×K | 706.29 | Joback Calculated Property |
| Cp,gas | 618.78 | J/mol×K | 741.65 | Joback Calculated Property |
| Cp,gas | 633.75 | J/mol×K | 777.00 | Joback Calculated Property |
| Cp,gas | 647.76 | J/mol×K | 812.36 | Joback Calculated Property |
| Cp,gas | 660.85 | J/mol×K | 847.72 | Joback Calculated Property |
| Cp,gas | 673.09 | J/mol×K | 883.07 | Joback Calculated Property |
| Cp,gas | 684.54 | J/mol×K | 918.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-bromo-N-butyl-N-isobutyl-.
Sources
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