- InChI
- InChI=1S/C6H4ClNO5S/c7-5-2-1-4(8(9)10)3-6(5)14(11,12)13/h1-3H,(H,11,12,13)
- InChI Key
- GNTARUIZNIWBCN-UHFFFAOYSA-N
- Formula
- C6H4ClNO5S
- SMILES
-
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=
O)O)c1 - Molecular Weight1
- 237.62
- CAS
- 96-73-1
- Other Names
-
- 2-chloro-5-nitrobenzenesulphonic acid
- 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° | -488.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -585.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.84 | kJ/mol | Joback Calculated Property |
| log10WS | -2.40 | Crippen Calculated Property | |
| logPoct/wat | 1.495 | Crippen Calculated Property | |
| McVol | 135.260 | ml/mol | McGowan Calculated Property |
| Pc | 6190.26 | kPa | Joback Calculated Property |
| Tboil | 702.55 | K | Joback Calculated Property |
| Tc | 929.06 | K | Joback Calculated Property |
| Tfus | 481.75 | K | Joback Calculated Property |
| Vc | 0.539 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [309.15; 341.47] | J/mol×K | [702.55; 929.06] | 
|
| Cp,gas | 309.15 | J/mol×K | 702.55 | Joback Calculated Property |
| Cp,gas | 316.22 | J/mol×K | 740.30 | Joback Calculated Property |
| Cp,gas | 322.61 | J/mol×K | 778.05 | Joback Calculated Property |
| Cp,gas | 328.33 | J/mol×K | 815.81 | Joback Calculated Property |
| Cp,gas | 333.38 | J/mol×K | 853.56 | Joback Calculated Property |
| Cp,gas | 337.76 | J/mol×K | 891.31 | Joback Calculated Property |
| Cp,gas | 341.47 | J/mol×K | 929.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chloro-5-nitrobenzene sulfonic acid.
Sources
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