- InChI
- InChI=1S/C7H6BrNO3/c1-4-2-5(8)7(10)6(3-4)9(11)12/h2-3,10H,1H3
- InChI Key
- ABMPSIRCVCUHLO-UHFFFAOYSA-N
- Formula
- C7H6BrNO3
- SMILES
- Cc1cc(Br)c(O)c([N+](=O)[O-])c1
- Molecular Weight1
- 232.03
- CAS
- 20039-91-2
- 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).
- 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° | -3.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -135.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.82 | kJ/mol | Joback Calculated Property |
| log10WS | -3.31 | Crippen Calculated Property | |
| logPoct/wat | 2.371 | Crippen Calculated Property | |
| McVol | 126.520 | ml/mol | McGowan Calculated Property |
| Pc | 5414.53 | kPa | Joback Calculated Property |
| Tboil | 694.82 | K | Joback Calculated Property |
| Tc | 967.26 | K | Joback Calculated Property |
| Tfus | 535.24 | K | Joback Calculated Property |
| Vc | 0.429 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [286.18; 328.81] | J/mol×K | [694.82; 967.26] | 
|
| Cp,gas | 286.18 | J/mol×K | 694.82 | Joback Calculated Property |
| Cp,gas | 294.28 | J/mol×K | 740.23 | Joback Calculated Property |
| Cp,gas | 301.80 | J/mol×K | 785.63 | Joback Calculated Property |
| Cp,gas | 308.88 | J/mol×K | 831.04 | Joback Calculated Property |
| Cp,gas | 315.66 | J/mol×K | 876.45 | Joback Calculated Property |
| Cp,gas | 322.26 | J/mol×K | 921.86 | Joback Calculated Property |
| Cp,gas | 328.81 | J/mol×K | 967.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromo-4-methyl-6-nitrophenol.
Sources
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