- InChI
- InChI=1S/C9H10ClNO4S/c1-6(12)9(13)11-16(14,15)8-4-2-7(10)3-5-8/h2-6,12H,1H3,(H,11,13)
- InChI Key
- YHRUVVJCYRHQGX-UHFFFAOYSA-N
- Formula
- C9H10ClNO4S
- SMILES
-
CC(O)C(O)=NS(=O)(=O)c1ccc(Cl)c
c1 - Molecular Weight1
- 263.70
- CAS
- 90346-78-4
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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).
- Inp : Non-polar retention indices.
- 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 | 0.8488 | Relay (1.0) Calculated Property | |
| ΔfG° | -327.93 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -667.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 111.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.366 | Crippen Calculated Property | |
| McVol | 171.660 | ml/mol | McGowan Calculated Property |
| Pc | 4130.29 | kPa | Joback Calculated Property |
| Inp | [2150.00; 2150.00] |
|
|
| Inp | 2150.00 | NIST | |
| Inp | 2150.00 | NIST | |
| Tboil | 596.73 | K | Relay (1.0) Calculated Property |
| Tc | 893.23 | K | Relay (1.0) Calculated Property |
| Tfus | 401.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.597 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4-Chloro-N-(2-hydroxypropionyl)-benzenesulfonamide.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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