- InChI
- InChI=1S/C12H10N2O4S/c13-9-6-7-11(14(15)16)12(8-9)19(17,18)10-4-2-1-3-5-10/h1-8H,13H2
- InChI Key
- OGODEVKMWCNNIV-UHFFFAOYSA-N
- Formula
- C12H10N2O4S
- SMILES
-
Nc1ccc([N+](=O)[O-])c(S(=O)(=O
)c2ccccc2)c1 - Molecular Weight1
- 278.28
- CAS
- 19770-94-6
- 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° | -110.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -271.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.05 | kJ/mol | Joback Calculated Property |
| log10WS | -3.12 | Crippen Calculated Property | |
| logPoct/wat | 2.010 | Crippen Calculated Property | |
| McVol | 187.910 | ml/mol | McGowan Calculated Property |
| Pc | 4362.63 | kPa | Joback Calculated Property |
| Tboil | 809.43 | K | Joback Calculated Property |
| Tc | 1073.94 | K | Joback Calculated Property |
| Tfus | 568.31 | K | Joback Calculated Property |
| Vc | 0.729 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [508.76; 555.11] | J/mol×K | [809.43; 1073.94] | 
|
| Cp,gas | 508.76 | J/mol×K | 809.43 | Joback Calculated Property |
| Cp,gas | 519.78 | J/mol×K | 853.51 | Joback Calculated Property |
| Cp,gas | 529.41 | J/mol×K | 897.60 | Joback Calculated Property |
| Cp,gas | 537.71 | J/mol×K | 941.68 | Joback Calculated Property |
| Cp,gas | 544.72 | J/mol×K | 985.77 | Joback Calculated Property |
| Cp,gas | 550.50 | J/mol×K | 1029.85 | Joback Calculated Property |
| Cp,gas | 555.11 | J/mol×K | 1073.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Aniline, 4-nitro-3-phenylsulfonyl-.
Sources
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