- InChI
- InChI=1S/C15H22BrNO/c1-3-5-7-12(4-2)11-17-15(18)13-8-6-9-14(16)10-13/h6,8-10,12H,3-5,7,11H2,1-2H3,(H,17,18)
- InChI Key
- IYEAXBBMYLCASU-UHFFFAOYSA-N
- Formula
- C15H22BrNO
- SMILES
- CCCCC(CC)CNC(=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° | 150.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -165.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.15 | kJ/mol | Joback Calculated Property |
| log10WS | -5.67 | Crippen Calculated Property | |
| logPoct/wat | 4.395 | Crippen Calculated Property | |
| McVol | 227.500 | ml/mol | McGowan Calculated Property |
| Pc | 2086.93 | kPa | Joback Calculated Property |
| Inp | [2263.00; 2263.00] |
|
|
| Inp | 2263.00 | NIST | |
| Inp | 2263.00 | NIST | |
| Tboil | 744.02 | K | Joback Calculated Property |
| Tc | 958.39 | K | Joback Calculated Property |
| Tfus | 445.14 | K | Joback Calculated Property |
| Vc | 0.865 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [618.14; 695.46] | J/mol×K | [744.02; 958.39] |
|
| Cp,gas | 618.14 | J/mol×K | 744.02 | Joback Calculated Property |
| Cp,gas | 633.31 | J/mol×K | 779.75 | Joback Calculated Property |
| Cp,gas | 647.49 | J/mol×K | 815.48 | Joback Calculated Property |
| Cp,gas | 660.74 | J/mol×K | 851.20 | Joback Calculated Property |
| Cp,gas | 673.11 | J/mol×K | 886.93 | Joback Calculated Property |
| Cp,gas | 684.67 | J/mol×K | 922.66 | Joback Calculated Property |
| Cp,gas | 695.46 | J/mol×K | 958.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-bromo-N-(2-ethylhexyl)-.
Sources
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