- InChI
- InChI=1S/C7H6ClN3O5S2/c8-3-1-4-6(2-5(3)17(9,13)14)18(15,16)11-7(12)10-4/h1-2H,(H2,9,13,14)(H2,10,11,12)
- InChI Key
- CLWJBTNSDQIMNT-UHFFFAOYSA-N
- Formula
- C7H6ClN3O5S2
- SMILES
-
NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)N
S2(=O)=O - Molecular Weight1
- 311.72
- CAS
- 89813-56-9
- 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° | -675.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -846.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.89 | kJ/mol | Joback Calculated Property |
| log10WS | -1.97 | Crippen Calculated Property | |
| logPoct/wat | -0.189 | Crippen Calculated Property | |
| McVol | 174.800 | ml/mol | McGowan Calculated Property |
| Pc | 9536.74 | kPa | Joback Calculated Property |
| Tboil | 766.35 | K | Joback Calculated Property |
| Tc | 1015.09 | K | Joback Calculated Property |
| Tfus | 768.92 | K | Joback Calculated Property |
| Vc | 0.672 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [433.65; 472.65] | J/mol×K | [766.35; 1015.09] | 
|
| Cp,gas | 433.65 | J/mol×K | 766.35 | Joback Calculated Property |
| Cp,gas | 443.37 | J/mol×K | 807.81 | Joback Calculated Property |
| Cp,gas | 451.87 | J/mol×K | 849.26 | Joback Calculated Property |
| Cp,gas | 459.11 | J/mol×K | 890.72 | Joback Calculated Property |
| Cp,gas | 465.02 | J/mol×K | 932.18 | Joback Calculated Property |
| Cp,gas | 469.55 | J/mol×K | 973.64 | Joback Calculated Property |
| Cp,gas | 472.65 | J/mol×K | 1015.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Chloro-7-sulfamyl-3(4h)-oxo-1,2,4-benzothiadiazine-1,1-dioxide.
Sources
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