- InChI
- InChI=1S/C8H7BrN2O3/c1-5(12)10-7-3-2-6(9)4-8(7)11(13)14/h2-4H,1H3,(H,10,12)
- InChI Key
- GUBNCRISSRANNO-UHFFFAOYSA-N
- Formula
- C8H7BrN2O3
- SMILES
-
CC(=O)Nc1ccc(Br)cc1[N+](=O)[O-
] - Molecular Weight1
- 259.06
- CAS
- 881-50-5
- Other Names
-
- 4-Bromo-2-nitroacetanilide
- Acetamide, N-(4-bromo-2-nitrophenyl)-
- 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).
- 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 | 0.6432 | Relay (1.0) Calculated Property | |
| ΔfG° | 119.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -121.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.316 | Crippen Calculated Property | |
| McVol | 146.290 | ml/mol | McGowan Calculated Property |
| Pc | 4283.05 | kPa | Joback Calculated Property |
| Tboil | 579.99 | K | Relay (1.0) Calculated Property |
| Tc | 877.44 | K | Relay (1.0) Calculated Property |
| Tfus | 408.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.496 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [345.90; 388.78] | J/mol×K | [741.12; 1000.96] | 
|
| Cp,gas | 345.90 | J/mol×K | 741.12 | Joback Calculated Property |
| Cp,gas | 354.90 | J/mol×K | 784.43 | Joback Calculated Property |
| Cp,gas | 363.08 | J/mol×K | 827.73 | Joback Calculated Property |
| Cp,gas | 370.51 | J/mol×K | 871.04 | Joback Calculated Property |
| Cp,gas | 377.22 | J/mol×K | 914.35 | Joback Calculated Property |
| Cp,gas | 383.30 | J/mol×K | 957.65 | Joback Calculated Property |
| Cp,gas | 388.78 | J/mol×K | 1000.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4'-Bromo-2'-nitroacetanilide.
Sources
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