- InChI
- InChI=1S/C17H26BrNO/c1-3-5-6-7-8-11-14-19(4-2)17(20)15-12-9-10-13-16(15)18/h9-10,12-13H,3-8,11,14H2,1-2H3
- InChI Key
- XKNXAFQWUBCYIH-UHFFFAOYSA-N
- Formula
- C17H26BrNO
- SMILES
- CCCCCCCCN(CC)C(=O)c1ccccc1Br
- Molecular Weight1
- 340.30
- 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 | 0.7875 | Relay (1.0) Calculated Property | |
| ΔfG° | 191.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -258.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.272 | Crippen Calculated Property | |
| McVol | 255.680 | ml/mol | McGowan Calculated Property |
| Pc | 1730.34 | kPa | Joback Calculated Property |
| Inp | [2521.00; 2521.00] |
|
|
| Inp | 2521.00 | NIST | |
| Inp | 2521.00 | NIST | |
| Tboil | 632.96 | K | Relay (1.0) Calculated Property |
| Tc | 842.08 | K | Relay (1.0) Calculated Property |
| Tfus | 293.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.931 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [712.42; 796.65] | J/mol×K | [752.49; 956.51] |
|
| Cp,gas | 712.42 | J/mol×K | 752.49 | Joback Calculated Property |
| Cp,gas | 728.75 | J/mol×K | 786.49 | Joback Calculated Property |
| Cp,gas | 744.08 | J/mol×K | 820.50 | Joback Calculated Property |
| Cp,gas | 758.48 | J/mol×K | 854.50 | Joback Calculated Property |
| Cp,gas | 772.00 | J/mol×K | 888.50 | Joback Calculated Property |
| Cp,gas | 784.70 | J/mol×K | 922.51 | Joback Calculated Property |
| Cp,gas | 796.65 | J/mol×K | 956.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 2-bromo-N-ethyl-N-octyl-.
Sources
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