- InChI
- InChI=1S/C6H8N2O4S2/c7-13(9,10)5-2-1-3-6(4-5)14(8,11)12/h1-4H,(H2,7,9,10)(H2,8,11,12)
- InChI Key
- HUYYFHGIHVULSU-UHFFFAOYSA-N
- Formula
- C6H8N2O4S2
- SMILES
- NS(=O)(=O)c1cccc(S(N)(=O)=O)c1
- Molecular Weight1
- 236.27
- 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° | -701.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -781.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.44 | kJ/mol | Joback Calculated Property |
| log10WS | -2.17 | Aq. Sol... | |
| logPoct/wat | -1.019 | Crippen Calculated Property | |
| McVol | 147.780 | ml/mol | McGowan Calculated Property |
| Pc | 9001.58 | kPa | Joback Calculated Property |
| Tboil | 608.96 | K | Joback Calculated Property |
| Tc | 832.10 | K | Joback Calculated Property |
| Tfus | 439.96 | K | Joback Calculated Property |
| Vc | 0.574 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [346.43; 399.42] | J/mol×K | [608.96; 832.10] | 
|
| Cp,gas | 346.43 | J/mol×K | 608.96 | Joback Calculated Property |
| Cp,gas | 357.43 | J/mol×K | 646.15 | Joback Calculated Property |
| Cp,gas | 367.58 | J/mol×K | 683.34 | Joback Calculated Property |
| Cp,gas | 376.86 | J/mol×K | 720.53 | Joback Calculated Property |
| Cp,gas | 385.28 | J/mol×K | 757.72 | Joback Calculated Property |
| Cp,gas | 392.80 | J/mol×K | 794.91 | Joback Calculated Property |
| Cp,gas | 399.42 | J/mol×K | 832.10 | Joback Calculated Property |
Similar Compounds
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Sources
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