- InChI
- InChI=1S/C6H4BrNO5S/c7-5-2-1-4(14(11,12)13)3-6(5)8(9)10/h1-3H,(H,11,12,13)
- InChI Key
- LKQYUJYPYBCDOA-UHFFFAOYSA-N
- Formula
- C6H4BrNO5S
- SMILES
-
O=[N+]([O-])c1cc(S(=O)(=O)O)cc
c1Br - Molecular Weight1
- 282.07
- CAS
- 584-49-6
- 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° | -462.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -543.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.89 | kJ/mol | Joback Calculated Property |
| log10WS | -2.87 | Crippen Calculated Property | |
| logPoct/wat | 1.604 | Crippen Calculated Property | |
| McVol | 140.520 | ml/mol | McGowan Calculated Property |
| Pc | 7367.98 | kPa | Joback Calculated Property |
| Tboil | 731.28 | K | Joback Calculated Property |
| Tc | 965.31 | K | Joback Calculated Property |
| Tfus | 511.63 | K | Joback Calculated Property |
| Vc | 0.552 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [315.40; 345.08] | J/mol×K | [731.28; 965.31] | 
|
| Cp,gas | 315.40 | J/mol×K | 731.28 | Joback Calculated Property |
| Cp,gas | 322.05 | J/mol×K | 770.28 | Joback Calculated Property |
| Cp,gas | 328.01 | J/mol×K | 809.29 | Joback Calculated Property |
| Cp,gas | 333.28 | J/mol×K | 848.29 | Joback Calculated Property |
| Cp,gas | 337.87 | J/mol×K | 887.30 | Joback Calculated Property |
| Cp,gas | 341.80 | J/mol×K | 926.30 | Joback Calculated Property |
| Cp,gas | 345.08 | J/mol×K | 965.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Bromo-3-nitrobenzene sulfonic acid.
Sources
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