- InChI
- InChI=1S/C6H8BrN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
- InChI Key
- YRXAPDMJILMLSU-UHFFFAOYSA-N
- Formula
- C6H8BrN3O4S2
- SMILES
-
Nc1cc(Br)c(S(N)(=O)=O)cc1S(N)(
=O)=O - Molecular Weight1
- 330.18
- CAS
- 1020-32-2
- 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° | -640.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -744.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.84 | kJ/mol | Joback Calculated Property |
| log10WS | -1.67 | Crippen Calculated Property | |
| logPoct/wat | -0.674 | Crippen Calculated Property | |
| McVol | 175.260 | ml/mol | McGowan Calculated Property |
| Pc | 10896.05 | kPa | Joback Calculated Property |
| Tboil | 757.61 | K | Joback Calculated Property |
| Tc | 998.97 | K | Joback Calculated Property |
| Tfus | 608.06 | K | Joback Calculated Property |
| Vc | 0.664 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [423.24; 456.61] | J/mol×K | [757.61; 998.97] | 
|
| Cp,gas | 423.24 | J/mol×K | 757.61 | Joback Calculated Property |
| Cp,gas | 431.44 | J/mol×K | 797.84 | Joback Calculated Property |
| Cp,gas | 438.61 | J/mol×K | 838.06 | Joback Calculated Property |
| Cp,gas | 444.74 | J/mol×K | 878.29 | Joback Calculated Property |
| Cp,gas | 449.79 | J/mol×K | 918.52 | Joback Calculated Property |
| Cp,gas | 453.75 | J/mol×K | 958.75 | Joback Calculated Property |
| Cp,gas | 456.61 | J/mol×K | 998.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Amino-6-bromo-1,3-benzenedisulfonamide.
Sources
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