- InChI
- InChI=1S/C6H6FNO2S/c7-11(9,10)6-3-1-2-5(8)4-6/h1-4H,8H2
- InChI Key
- PLSYVJDMJWGODG-UHFFFAOYSA-N
- Formula
- C6H6FNO2S
- SMILES
- Nc1cccc(S(=O)(=O)F)c1
- Molecular Weight1
- 175.18
- CAS
- 368-50-3
- Other Names
-
- Benzenesulfonyl fluoride, 3-amino-
- Metanilyl 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° | -494.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -557.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.35 | kJ/mol | Joback Calculated Property |
| log10WS | -1.22 | Crippen Calculated Property | |
| logPoct/wat | 0.927 | Crippen Calculated Property | |
| McVol | 111.480 | ml/mol | McGowan Calculated Property |
| Pc | 5818.28 | kPa | Joback Calculated Property |
| Tboil | 487.92 | K | Joback Calculated Property |
| Tc | 699.38 | K | Joback Calculated Property |
| Tfus | 318.73 | K | Joback Calculated Property |
| Vc | 0.436 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [227.96; 280.41] | J/mol×K | [487.92; 699.38] | 
|
| Cp,gas | 227.96 | J/mol×K | 487.92 | Joback Calculated Property |
| Cp,gas | 238.17 | J/mol×K | 523.16 | Joback Calculated Property |
| Cp,gas | 247.79 | J/mol×K | 558.41 | Joback Calculated Property |
| Cp,gas | 256.82 | J/mol×K | 593.65 | Joback Calculated Property |
| Cp,gas | 265.27 | J/mol×K | 628.90 | Joback Calculated Property |
| Cp,gas | 273.13 | J/mol×K | 664.14 | Joback Calculated Property |
| Cp,gas | 280.41 | J/mol×K | 699.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to m-Aminobenzenesulfonyl fluoride.
Sources
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