- InChI
- InChI=1S/C8H9NO3S/c1-7(10)9-13(11,12)8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)
- InChI Key
- JHKCSRBLMSDCML-UHFFFAOYSA-N
- Formula
- C8H9NO3S
- SMILES
- CC(=O)NS(=O)(=O)c1ccccc1
- Molecular Weight1
- 199.23
- CAS
- 5661-14-3
- 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).
- 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 |
|---|---|---|---|
| ΔcH°solid | -4304.10 | kJ/mol | NIST |
| ΔfG° | -379.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -484.38 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | -732.20 | kJ/mol | NIST |
| ΔfusH° | 28.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.49 | kJ/mol | Joback Calculated Property |
| log10WS | -1.54 | Crippen Calculated Property | |
| logPoct/wat | 0.511 | Crippen Calculated Property | |
| McVol | 139.460 | ml/mol | McGowan Calculated Property |
| Pc | 4931.51 | kPa | Joback Calculated Property |
| Tboil | 560.94 | K | Joback Calculated Property |
| Tc | 775.08 | K | Joback Calculated Property |
| Tfus | 347.49 | K | Joback Calculated Property |
| Vc | 0.542 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [311.58; 373.15] | J/mol×K | [560.94; 775.08] | 
|
| Cp,gas | 311.58 | J/mol×K | 560.94 | Joback Calculated Property |
| Cp,gas | 323.84 | J/mol×K | 596.63 | Joback Calculated Property |
| Cp,gas | 335.29 | J/mol×K | 632.32 | Joback Calculated Property |
| Cp,gas | 345.93 | J/mol×K | 668.01 | Joback Calculated Property |
| Cp,gas | 355.78 | J/mol×K | 703.70 | Joback Calculated Property |
| Cp,gas | 364.85 | J/mol×K | 739.39 | Joback Calculated Property |
| Cp,gas | 373.15 | J/mol×K | 775.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-Acetylbenzenesulfonamide.
Sources
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