- InChI
- InChI=1S/C7H8ClNO2S/c1-12(10,11)5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3
- InChI Key
- VLMRGLCBIFWPGL-UHFFFAOYSA-N
- Formula
- C7H8ClNO2S
- SMILES
- CS(=O)(=O)c1ccc(N)c(Cl)c1
- Molecular Weight1
- 205.66
- CAS
- 13244-35-4
- Other Names
-
- Aniline, 2-chloro-4-(methylsulfonyl)-
- 1-Amino-2-chloro-4-methylsulfonylbenzene
- 2-Chloro-4-(methylsulfonyl)aniline
- 3-Chloro-4-aminophenylmethylsulfone
- 4-Amino-3-chlorophenyl methyl sulfone
- 4-Amino-3-chlorofenylomethylosulfon
- 4-Amino-3-chlorophenylmethylsulphone
- 2-chloro-4-mesylaniline
- 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° | -312.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -409.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.44 | kJ/mol | Joback Calculated Property |
| log10WS | -1.48 | Crippen Calculated Property | |
| logPoct/wat | 1.326 | Crippen Calculated Property | |
| McVol | 136.040 | ml/mol | McGowan Calculated Property |
| Pc | 5001.51 | kPa | Joback Calculated Property |
| Tboil | 553.94 | K | Joback Calculated Property |
| Tc | 779.33 | K | Joback Calculated Property |
| Tfus | 371.85 | K | Joback Calculated Property |
| Vc | 0.523 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [284.72; 339.49] | J/mol×K | [553.94; 779.33] | 
|
| Cp,gas | 284.72 | J/mol×K | 553.94 | Joback Calculated Property |
| Cp,gas | 295.57 | J/mol×K | 591.50 | Joback Calculated Property |
| Cp,gas | 305.72 | J/mol×K | 629.07 | Joback Calculated Property |
| Cp,gas | 315.19 | J/mol×K | 666.63 | Joback Calculated Property |
| Cp,gas | 323.98 | J/mol×K | 704.20 | Joback Calculated Property |
| Cp,gas | 332.07 | J/mol×K | 741.76 | Joback Calculated Property |
| Cp,gas | 339.49 | J/mol×K | 779.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenamine, 2-chloro-4-(methylsulfonyl)-.
Sources
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