- InChI
- InChI=1S/C12H16BrNO/c1-3-4-8-14(2)12(15)10-6-5-7-11(13)9-10/h5-7,9H,3-4,8H2,1-2H3
- InChI Key
- UZZYLLYPEJVLDE-UHFFFAOYSA-N
- Formula
- C12H16BrNO
- SMILES
- CCCCN(C)C(=O)c1cccc(Br)c1
- Molecular Weight1
- 270.17
- 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° | 149.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -84.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.47 | kJ/mol | Joback Calculated Property |
| log10WS | -4.03 | Crippen Calculated Property | |
| logPoct/wat | 3.321 | Crippen Calculated Property | |
| McVol | 185.230 | ml/mol | McGowan Calculated Property |
| Pc | 2701.41 | kPa | Joback Calculated Property |
| Inp | 2206.00 | NIST | |
| Tboil | 638.09 | K | Joback Calculated Property |
| Tc | 856.52 | K | Joback Calculated Property |
| Tfus | 406.14 | K | Joback Calculated Property |
| Vc | 0.685 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [446.12; 519.16] | J/mol×K | [638.09; 856.52] | 
|
| Cp,gas | 446.12 | J/mol×K | 638.09 | Joback Calculated Property |
| Cp,gas | 460.52 | J/mol×K | 674.49 | Joback Calculated Property |
| Cp,gas | 473.96 | J/mol×K | 710.90 | Joback Calculated Property |
| Cp,gas | 486.48 | J/mol×K | 747.30 | Joback Calculated Property |
| Cp,gas | 498.15 | J/mol×K | 783.71 | Joback Calculated Property |
| Cp,gas | 509.03 | J/mol×K | 820.11 | Joback Calculated Property |
| Cp,gas | 519.16 | J/mol×K | 856.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-bromo-N-butyl-N-methyl-.
Sources
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