- InChI
- InChI=1S/C8H10N2O4S/c1-2-15(13,14)9-7-3-5-8(6-4-7)10(11)12/h3-6,9H,2H2,1H3
- InChI Key
- ZENKIQMTPMONLY-UHFFFAOYSA-N
- Formula
- C8H10N2O4S
- SMILES
-
CCS(=O)(=O)Nc1ccc([N+](=O)[O-]
)cc1 - Molecular Weight1
- 230.24
- CAS
- 57616-17-8
- 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° | -224.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -394.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.00 | kJ/mol | Joback Calculated Property |
| log10WS | -2.37 | Crippen Calculated Property | |
| logPoct/wat | 1.356 | Crippen Calculated Property | |
| McVol | 155.310 | ml/mol | McGowan Calculated Property |
| Pc | 4504.30 | kPa | Joback Calculated Property |
| Tboil | 663.89 | K | Joback Calculated Property |
| Tc | 895.32 | K | Joback Calculated Property |
| Tfus | 453.69 | K | Joback Calculated Property |
| Vc | 0.619 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [390.13; 447.58] | J/mol×K | [663.89; 895.32] | 
|
| Cp,gas | 390.13 | J/mol×K | 663.89 | Joback Calculated Property |
| Cp,gas | 402.09 | J/mol×K | 702.46 | Joback Calculated Property |
| Cp,gas | 413.07 | J/mol×K | 741.03 | Joback Calculated Property |
| Cp,gas | 423.09 | J/mol×K | 779.61 | Joback Calculated Property |
| Cp,gas | 432.17 | J/mol×K | 818.18 | Joback Calculated Property |
| Cp,gas | 440.32 | J/mol×K | 856.75 | Joback Calculated Property |
| Cp,gas | 447.58 | J/mol×K | 895.32 | Joback Calculated Property |
Similar Compounds
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Sources
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