- InChI
- InChI=1S/C11H12BrNO/c1-8(2)7-11(14)13-10-5-3-9(12)4-6-10/h3-7H,1-2H3,(H,13,14)
- InChI Key
- BJPQRVCCAISNSI-UHFFFAOYSA-N
- Formula
- C11H12BrNO
- SMILES
- CC(C)=CC(=O)Nc1ccc(Br)cc1
- Molecular Weight1
- 254.12
- 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 | 0.5679 | Relay (... Calculated Property | |
| ΔfG° | 190.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -79.02 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 28.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.90 | kJ/mol | Relay (... Calculated Property |
| IE | 8.01 | eV | Relay (... Calculated Property |
| log10WS | -4.23 | Relay (... Calculated Property | |
| logPoct/wat | 3.354 | Crippen Calculated Property | |
| McVol | 166.840 | ml/mol | McGowan Calculated Property |
| Pc | 3243.03 | kPa | Joback Calculated Property |
| Inp | 1953.00 | NIST | |
| Tboil | 588.94 | K | Relay (... Calculated Property |
| Tc | 839.50 | K | Relay (... Calculated Property |
| Tfus | 426.23 | K | Relay (... Calculated Property |
| Vc | 0.571 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [386.45; 449.05] | J/mol×K | [656.98; 894.89] | 
|
| Cp,gas | 386.45 | J/mol×K | 656.98 | Joback Calculated Property |
| Cp,gas | 398.97 | J/mol×K | 696.63 | Joback Calculated Property |
| Cp,gas | 410.55 | J/mol×K | 736.28 | Joback Calculated Property |
| Cp,gas | 421.27 | J/mol×K | 775.93 | Joback Calculated Property |
| Cp,gas | 431.21 | J/mol×K | 815.58 | Joback Calculated Property |
| Cp,gas | 440.44 | J/mol×K | 855.23 | Joback Calculated Property |
| Cp,gas | 449.05 | J/mol×K | 894.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butenamide, N-(4-bromophenyl)-3-methyl-.
Sources
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