- InChI
- InChI=1S/C7H6BrNO3/c8-4-5-3-6(9(11)12)1-2-7(5)10/h1-3,10H,4H2
- InChI Key
- KFDPCYZHENQOBV-UHFFFAOYSA-N
- Formula
- C7H6BrNO3
- SMILES
- O=[N+]([O-])c1ccc(O)c(CBr)c1
- Molecular Weight1
- 232.03
- CAS
- 772-33-8
- Other Names
-
- «alpha»-Bromo-4-nitro-o-cresol
- Phenol, 2-(bromomethyl)-4-nitro-
- o-Cresol, «alpha»-bromo-4-nitro-
- Alpha-bromo-4-nitro-O-cresol
- 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° | 6.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -124.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.15 | kJ/mol | Joback Calculated Property |
| log10WS | -2.98 | Crippen Calculated Property | |
| logPoct/wat | 2.195 | Crippen Calculated Property | |
| McVol | 126.520 | ml/mol | McGowan Calculated Property |
| Pc | 5536.07 | kPa | Joback Calculated Property |
| Tboil | 689.84 | K | Joback Calculated Property |
| Tc | 961.43 | K | Joback Calculated Property |
| Tfus | 522.72 | K | Joback Calculated Property |
| Vc | 0.429 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [288.25; 331.01] | J/mol×K | [689.84; 961.43] | 
|
| Cp,gas | 288.25 | J/mol×K | 689.84 | Joback Calculated Property |
| Cp,gas | 296.48 | J/mol×K | 735.10 | Joback Calculated Property |
| Cp,gas | 304.08 | J/mol×K | 780.37 | Joback Calculated Property |
| Cp,gas | 311.18 | J/mol×K | 825.63 | Joback Calculated Property |
| Cp,gas | 317.94 | J/mol×K | 870.90 | Joback Calculated Property |
| Cp,gas | 324.51 | J/mol×K | 916.16 | Joback Calculated Property |
| Cp,gas | 331.01 | J/mol×K | 961.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hydroxy-5-nitrobenzyl bromide.
Sources
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