- InChI
- InChI=1S/C6H6ClNO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,(H2,8,9,10)
- InChI Key
- WSYQJNPRQUFCGL-UHFFFAOYSA-N
- Formula
- C6H6ClNO2S
- SMILES
- NS(=O)(=O)c1cccc(Cl)c1
- Molecular Weight1
- 191.63
- CAS
- 17260-71-8
- Other Names
-
- Benzenesulfonamide, 3-chloro-
- 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 | 0.5423 | Relay (1.0) Calculated Property | |
| ΔfG° | -311.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -259.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.987 | Crippen Calculated Property | |
| McVol | 121.950 | ml/mol | McGowan Calculated Property |
| Pc | 5889.94 | kPa | Joback Calculated Property |
| Tboil | 561.36 | K | Relay (1.0) Calculated Property |
| Tc | 835.79 | K | Relay (1.0) Calculated Property |
| Tfus | 382.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.424 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [242.55; 292.87] | J/mol×K | [526.08; 754.53] | 
|
| Cp,gas | 242.55 | J/mol×K | 526.08 | Joback Calculated Property |
| Cp,gas | 252.62 | J/mol×K | 564.16 | Joback Calculated Property |
| Cp,gas | 262.01 | J/mol×K | 602.23 | Joback Calculated Property |
| Cp,gas | 270.72 | J/mol×K | 640.31 | Joback Calculated Property |
| Cp,gas | 278.77 | J/mol×K | 678.38 | Joback Calculated Property |
| Cp,gas | 286.15 | J/mol×K | 716.46 | Joback Calculated Property |
| Cp,gas | 292.87 | J/mol×K | 754.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chlorobenzenesulfonamide.
Sources
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