- InChI
- InChI=1S/C6H6ClNO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H2,8,9,10)
- InChI Key
- JCCBZCMSYUSCFM-UHFFFAOYSA-N
- Formula
- C6H6ClNO2S
- SMILES
- NS(=O)(=O)c1ccccc1Cl
- Molecular Weight1
- 191.63
- CAS
- 6961-82-6
- Other Names
-
- Benzenesulfonamide, 2-chloro-
- o-Chlorobenzenesulfonamide
- Benzenesulfonamide, o-chloro-
- o-chlorobenzenesulphonamide
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase 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 | 0.5437 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -3526.70 ± 7.00 | kJ/mol | NIST |
| ΔfG° | -311.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -260.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -318.30 ± 7.00 | kJ/mol | NIST |
| ΔfusH° | 25.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.35 | 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 | 572.69 | K | Relay (1.0) Calculated Property |
| Tc | 842.22 | K | Relay (1.0) Calculated Property |
| Tfus | 411.64 | K | Relay (1.0) Calculated Property |
| Vc | 0.419 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [157.85; 320.78] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 3.04500e+01 | |||
| Coefficient B | 5.37690e-01 | |||
| Coefficient C | -2.64960e-04 | |||
| Coefficient D | 1.76000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 157.85 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 188.29 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 215.52 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 239.58 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 260.55 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 278.47 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 293.39 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 305.38 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 314.49 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 320.78 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chlorobenzenesulfonamide.
Sources
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