- InChI
- InChI=1S/C6H5ClFNO2S/c7-5-2-1-4(3-6(5)9)12(8,10)11/h1-3H,9H2
- InChI Key
- HNZYBSQZUOJCDN-UHFFFAOYSA-N
- Formula
- C6H5ClFNO2S
- SMILES
- Nc1cc(S(=O)(=O)F)ccc1Cl
- Molecular Weight1
- 209.63
- CAS
- 368-72-9
- Other Names
-
- Benzenesulfonyl fluoride, 3-amino-4-chloro-
- 3-amino-4-chlorobenzenesulphonyl 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° | -516.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -584.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.39 | kJ/mol | Joback Calculated Property |
| log10WS | -1.91 | Crippen Calculated Property | |
| logPoct/wat | 1.580 | Crippen Calculated Property | |
| McVol | 123.720 | ml/mol | McGowan Calculated Property |
| Pc | 5382.80 | kPa | Joback Calculated Property |
| Tboil | 530.33 | K | Joback Calculated Property |
| Tc | 748.18 | K | Joback Calculated Property |
| Tfus | 361.17 | K | Joback Calculated Property |
| Vc | 0.485 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [250.17; 296.76] | J/mol×K | [530.33; 748.18] | 
|
| Cp,gas | 250.17 | J/mol×K | 530.33 | Joback Calculated Property |
| Cp,gas | 259.36 | J/mol×K | 566.64 | Joback Calculated Property |
| Cp,gas | 267.99 | J/mol×K | 602.95 | Joback Calculated Property |
| Cp,gas | 276.04 | J/mol×K | 639.25 | Joback Calculated Property |
| Cp,gas | 283.52 | J/mol×K | 675.56 | Joback Calculated Property |
| Cp,gas | 290.43 | J/mol×K | 711.87 | Joback Calculated Property |
| Cp,gas | 296.76 | J/mol×K | 748.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Amino-4-chlorobenzenesulfonyl fluoride.
Sources
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