- InChI
- InChI=1S/C9H11NO3S/c1-7(11)10-8-3-5-9(6-4-8)14(2,12)13/h3-6H,1-2H3,(H,10,11)
- InChI Key
- SJYUABJSWXGSAO-UHFFFAOYSA-N
- Formula
- C9H11NO3S
- SMILES
- CC(=O)Nc1ccc(S(C)(=O)=O)cc1
- Molecular Weight1
- 213.25
- CAS
- 22821-80-3
- 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 | 0.6420 | Relay (1.0) Calculated Property | |
| ΔfG° | -380.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -441.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.048 | Crippen Calculated Property | |
| McVol | 153.550 | ml/mol | McGowan Calculated Property |
| Pc | 4244.08 | kPa | Joback Calculated Property |
| Tboil | 619.92 | K | Relay (1.0) Calculated Property |
| Tc | 888.27 | K | Relay (1.0) Calculated Property |
| Tfus | 447.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.539 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [357.25; 421.84] | J/mol×K | [588.80; 800.39] | 
|
| Cp,gas | 357.25 | J/mol×K | 588.80 | Joback Calculated Property |
| Cp,gas | 370.03 | J/mol×K | 624.07 | Joback Calculated Property |
| Cp,gas | 382.00 | J/mol×K | 659.33 | Joback Calculated Property |
| Cp,gas | 393.15 | J/mol×K | 694.60 | Joback Calculated Property |
| Cp,gas | 403.50 | J/mol×K | 729.86 | Joback Calculated Property |
| Cp,gas | 413.06 | J/mol×K | 765.13 | Joback Calculated Property |
| Cp,gas | 421.84 | J/mol×K | 800.39 | Joback Calculated Property |
Similar Compounds
![Acetamide, N-[4-[(4-aminophenyl)sulfonyl]phenyl]-.](data:image/png;base64,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)
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