- InChI
- InChI=1S/C16H24BrNO/c1-3-5-6-7-8-13-18(4-2)16(19)14-9-11-15(17)12-10-14/h9-12H,3-8,13H2,1-2H3
- InChI Key
- MPXJOGDHIAQTOI-UHFFFAOYSA-N
- Formula
- C16H24BrNO
- SMILES
- CCCCCCCN(CC)C(=O)c1ccc(Br)cc1
- Molecular Weight1
- 326.27
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7558 | Relay (1.0) Calculated Property | |
| ΔfG° | 182.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -243.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.882 | Crippen Calculated Property | |
| McVol | 241.590 | ml/mol | McGowan Calculated Property |
| Pc | 1877.28 | kPa | Joback Calculated Property |
| Inp | [2457.00; 2457.00] |
|
|
| Inp | 2457.00 | NIST | |
| Inp | 2457.00 | NIST | |
| Tboil | 632.74 | K | Relay (1.0) Calculated Property |
| Tc | 831.79 | K | Relay (1.0) Calculated Property |
| Tfus | 307.76 | K | Relay (1.0) Calculated Property |
| Vc | 0.874 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [656.77; 739.31] | J/mol×K | [729.61; 935.65] |
|
| Cp,gas | 656.77 | J/mol×K | 729.61 | Joback Calculated Property |
| Cp,gas | 672.82 | J/mol×K | 763.95 | Joback Calculated Property |
| Cp,gas | 687.86 | J/mol×K | 798.29 | Joback Calculated Property |
| Cp,gas | 701.98 | J/mol×K | 832.63 | Joback Calculated Property |
| Cp,gas | 715.22 | J/mol×K | 866.97 | Joback Calculated Property |
| Cp,gas | 727.64 | J/mol×K | 901.31 | Joback Calculated Property |
| Cp,gas | 739.31 | J/mol×K | 935.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-bromo-N-ethyl-N-heptyl-.
Sources
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