- InChI
- InChI=1S/C14H20BrNO/c1-4-16(10-9-11(2)3)14(17)12-5-7-13(15)8-6-12/h5-8,11H,4,9-10H2,1-3H3
- InChI Key
- PXXZYNDKZFEMHR-UHFFFAOYSA-N
- Formula
- C14H20BrNO
- SMILES
- CCN(CCC(C)C)C(=O)c1ccc(Br)cc1
- Molecular Weight1
- 298.22
- 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° | 163.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -131.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.53 | kJ/mol | Joback Calculated Property |
| log10WS | -4.63 | Crippen Calculated Property | |
| logPoct/wat | 3.957 | Crippen Calculated Property | |
| McVol | 213.410 | ml/mol | McGowan Calculated Property |
| Pc | 2250.40 | kPa | Joback Calculated Property |
| Inp | [2144.00; 2144.00] |
|
|
| Inp | 2144.00 | NIST | |
| Inp | 2144.00 | NIST | |
| Tboil | 683.41 | K | Joback Calculated Property |
| Tc | 898.75 | K | Joback Calculated Property |
| Tfus | 413.68 | K | Joback Calculated Property |
| Vc | 0.791 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [549.42; 629.09] | J/mol×K | [683.41; 898.75] |
|
| Cp,gas | 549.42 | J/mol×K | 683.41 | Joback Calculated Property |
| Cp,gas | 565.08 | J/mol×K | 719.30 | Joback Calculated Property |
| Cp,gas | 579.70 | J/mol×K | 755.19 | Joback Calculated Property |
| Cp,gas | 593.35 | J/mol×K | 791.08 | Joback Calculated Property |
| Cp,gas | 606.10 | J/mol×K | 826.97 | Joback Calculated Property |
| Cp,gas | 617.99 | J/mol×K | 862.86 | Joback Calculated Property |
| Cp,gas | 629.09 | J/mol×K | 898.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-bromo-N-ethyl-N-3-methylbutyl-.
Sources
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