- InChI
- InChI=1S/C11H12ClNO5S/c1-7(18-8(2)14)11(15)13-19(16,17)10-5-3-9(12)4-6-10/h3-7H,1-2H3,(H,13,15)
- InChI Key
- YJPRGEJXWHQENP-UHFFFAOYSA-N
- Formula
- C11H12ClNO5S
- SMILES
-
CC(=O)OC(C)C(=O)NS(=O)(=O)c1cc
c(Cl)cc1 - Molecular Weight1
- 305.74
- 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° | -611.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -823.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.99 | kJ/mol | Joback Calculated Property |
| log10WS | -2.45 | Crippen Calculated Property | |
| logPoct/wat | 1.097 | Crippen Calculated Property | |
| McVol | 201.410 | ml/mol | McGowan Calculated Property |
| Pc | 3419.86 | kPa | Joback Calculated Property |
| Inp | 2107.00 | NIST | |
| Tboil | 747.84 | K | Joback Calculated Property |
| Tc | 964.31 | K | Joback Calculated Property |
| Tfus | 480.90 | K | Joback Calculated Property |
| Vc | 0.777 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [519.40; 571.62] | J/mol×K | [747.84; 964.31] | 
|
| Cp,gas | 519.40 | J/mol×K | 747.84 | Joback Calculated Property |
| Cp,gas | 530.64 | J/mol×K | 783.92 | Joback Calculated Property |
| Cp,gas | 540.86 | J/mol×K | 820.00 | Joback Calculated Property |
| Cp,gas | 550.06 | J/mol×K | 856.08 | Joback Calculated Property |
| Cp,gas | 558.26 | J/mol×K | 892.16 | Joback Calculated Property |
| Cp,gas | 565.44 | J/mol×K | 928.23 | Joback Calculated Property |
| Cp,gas | 571.62 | J/mol×K | 964.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Chloro-N-(2-hydroxypropionyl)-benzenesulfonamide, O-acetyl-.
Sources
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