- InChI
- InChI=1S/C7H8ClNO2S/c1-5-2-3-6(4-7(5)8)12(9,10)11/h2-4H,1H3,(H2,9,10,11)
- InChI Key
- YAUUWNCFVUUNCM-UHFFFAOYSA-N
- Formula
- C7H8ClNO2S
- SMILES
- Cc1ccc(S(N)(=O)=O)cc1Cl
- Molecular Weight1
- 205.66
- CAS
- 51896-27-6
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5822 | Relay (1.0) Calculated Property | |
| ΔfG° | -312.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -297.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.296 | Crippen Calculated Property | |
| McVol | 136.040 | ml/mol | McGowan Calculated Property |
| Pc | 5001.51 | kPa | Joback Calculated Property |
| Tboil | 573.62 | K | Relay (1.0) Calculated Property |
| Tc | 840.15 | K | Relay (1.0) Calculated Property |
| Tfus | 407.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.478 | m3/kmol | Relay (1.0) 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 P-toluenesulfonamide, 3-chloro-.
Sources
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