- InChI
- InChI=1S/C16H24BrNO/c1-2-3-4-5-6-7-8-12-18-16(19)14-10-9-11-15(17)13-14/h9-11,13H,2-8,12H2,1H3,(H,18,19)
- InChI Key
- KQJDMPZGMLJBGC-UHFFFAOYSA-N
- Formula
- C16H24BrNO
- SMILES
- CCCCCCCCCNC(=O)c1cccc(Br)c1
- Molecular Weight1
- 326.27
- 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° | 161.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -181.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.77 | kJ/mol | Joback Calculated Property |
| log10WS | -6.33 | Crippen Calculated Property | |
| logPoct/wat | 4.929 | Crippen Calculated Property | |
| McVol | 241.590 | ml/mol | McGowan Calculated Property |
| Pc | 1901.92 | kPa | Joback Calculated Property |
| Inp | [2488.00; 2488.00] |
|
|
| Inp | 2488.00 | NIST | |
| Inp | 2488.00 | NIST | |
| Tboil | 767.34 | K | Joback Calculated Property |
| Tc | 976.03 | K | Joback Calculated Property |
| Tfus | 471.41 | K | Joback Calculated Property |
| Vc | 0.926 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [672.74; 751.00] | J/mol×K | [767.34; 976.03] |
|
| Cp,gas | 672.74 | J/mol×K | 767.34 | Joback Calculated Property |
| Cp,gas | 687.98 | J/mol×K | 802.12 | Joback Calculated Property |
| Cp,gas | 702.27 | J/mol×K | 836.90 | Joback Calculated Property |
| Cp,gas | 715.67 | J/mol×K | 871.69 | Joback Calculated Property |
| Cp,gas | 728.22 | J/mol×K | 906.47 | Joback Calculated Property |
| Cp,gas | 739.98 | J/mol×K | 941.25 | Joback Calculated Property |
| Cp,gas | 751.00 | J/mol×K | 976.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-bromo-N-nonyl-.
Sources
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