- InChI
- InChI=1S/C9H9Br2NO/c1-6(10)9(13)12-8-4-2-7(11)3-5-8/h2-6H,1H3,(H,12,13)
- InChI Key
- FJXNJUQSLIKVOC-UHFFFAOYSA-N
- Formula
- C9H9Br2NO
- SMILES
- CC(Br)C(=O)Nc1ccc(Br)cc1
- Molecular Weight1
- 306.98
- 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 | 0.5797 | Relay (... Calculated Property | |
| ΔfG° | 114.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -115.24 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 26.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.20 | kJ/mol | Relay (... Calculated Property |
| IE | 8.35 | eV | Relay (... Calculated Property |
| log10WS | -3.35 | Relay (... Calculated Property | |
| logPoct/wat | 3.171 | Crippen Calculated Property | |
| McVol | 160.460 | ml/mol | McGowan Calculated Property |
| Pc | 4194.74 | kPa | Joback Calculated Property |
| Inp | 1837.00 | NIST | |
| Tboil | 593.24 | K | Relay (... Calculated Property |
| Tc | 843.44 | K | Relay (... Calculated Property |
| Tfus | 437.13 | K | Relay (... Calculated Property |
| Vc | 0.537 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [344.68; 395.49] | J/mol×K | [672.90; 923.18] | 
|
| Cp,gas | 344.68 | J/mol×K | 672.90 | Joback Calculated Property |
| Cp,gas | 355.09 | J/mol×K | 714.61 | Joback Calculated Property |
| Cp,gas | 364.62 | J/mol×K | 756.33 | Joback Calculated Property |
| Cp,gas | 373.36 | J/mol×K | 798.04 | Joback Calculated Property |
| Cp,gas | 381.37 | J/mol×K | 839.75 | Joback Calculated Property |
| Cp,gas | 388.72 | J/mol×K | 881.47 | Joback Calculated Property |
| Cp,gas | 395.49 | J/mol×K | 923.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N-(4-bromophenyl)-2-bromo-.
Sources
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