- InChI
- InChI=1S/C6H4FNO4S/c7-13(11,12)6-4-2-1-3-5(6)8(9)10/h1-4H
- InChI Key
- HSQIQAVSSNKMBM-UHFFFAOYSA-N
- Formula
- C6H4FNO4S
- SMILES
- O=[N+]([O-])c1ccccc1S(=O)(=O)F
- Molecular Weight1
- 205.16
- CAS
- 433-98-7
- Other Names
-
- o-Nitrobenzenesulfonyl fluoride
- Benzenesulfonyl fluoride, 2-nitro-
- Benzenesulfonyl fluoride, o-nitro-
- 2-nitrobenzenesulphonyl fluoride
- 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° | -525.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -602.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.30 | kJ/mol | Joback Calculated Property |
| log10WS | -2.24 | Crippen Calculated Property | |
| logPoct/wat | 1.253 | Crippen Calculated Property | |
| McVol | 118.920 | ml/mol | McGowan Calculated Property |
| Pc | 5438.52 | kPa | Joback Calculated Property |
| Tboil | 567.23 | K | Joback Calculated Property |
| Tc | 798.17 | K | Joback Calculated Property |
| Tfus | 379.08 | K | Joback Calculated Property |
| Vc | 0.489 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [260.70; 308.86] | J/mol×K | [567.23; 798.17] | 
|
| Cp,gas | 260.70 | J/mol×K | 567.23 | Joback Calculated Property |
| Cp,gas | 270.58 | J/mol×K | 605.72 | Joback Calculated Property |
| Cp,gas | 279.71 | J/mol×K | 644.21 | Joback Calculated Property |
| Cp,gas | 288.10 | J/mol×K | 682.70 | Joback Calculated Property |
| Cp,gas | 295.74 | J/mol×K | 721.19 | Joback Calculated Property |
| Cp,gas | 302.66 | J/mol×K | 759.68 | Joback Calculated Property |
| Cp,gas | 308.86 | J/mol×K | 798.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Nitrobenzenesulfonyl fluoride.
Sources
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