- InChI
- InChI=1S/C10H12ClNO4S/c1-7(16-2)10(13)12-17(14,15)9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H,12,13)
- InChI Key
- YXMIQDWHNXBYRS-UHFFFAOYSA-N
- Formula
- C10H12ClNO4S
- SMILES
-
COC(C)C(=O)NS(=O)(=O)c1ccc(Cl)
cc1 - Molecular Weight1
- 277.73
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -491.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -690.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.02 | kJ/mol | Joback Calculated Property |
| log10WS | -2.26 | Crippen Calculated Property | |
| logPoct/wat | 1.180 | Crippen Calculated Property | |
| McVol | 185.750 | ml/mol | McGowan Calculated Property |
| Pc | 3555.77 | kPa | Joback Calculated Property |
| Inp | 2005.00 | NIST | |
| Tboil | 671.09 | K | Joback Calculated Property |
| Tc | 884.61 | K | Joback Calculated Property |
| Tfus | 419.70 | K | Joback Calculated Property |
| Vc | 0.716 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [455.93; 516.87] | J/mol×K | [671.09; 884.61] | 
|
| Cp,gas | 455.93 | J/mol×K | 671.09 | Joback Calculated Property |
| Cp,gas | 468.37 | J/mol×K | 706.68 | Joback Calculated Property |
| Cp,gas | 479.90 | J/mol×K | 742.26 | Joback Calculated Property |
| Cp,gas | 490.51 | J/mol×K | 777.85 | Joback Calculated Property |
| Cp,gas | 500.21 | J/mol×K | 813.44 | Joback Calculated Property |
| Cp,gas | 508.99 | J/mol×K | 849.02 | Joback Calculated Property |
| Cp,gas | 516.87 | J/mol×K | 884.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Chloro-N-(2-hydroxypropionyl)-benzenesulfonamide, O-methyl-.
Sources
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