- InChI
- InChI=1S/C16H17NO4S/c1-13(18)21-12-16(14-8-4-2-5-9-14)17-22(19,20)15-10-6-3-7-11-15/h2-11,16-17H,12H2,1H3
- InChI Key
- BQPCOGFDEPVRIR-UHFFFAOYSA-N
- Formula
- C16H17NO4S
- SMILES
-
CC(=O)OCC(NS(=O)(=O)c1ccccc1)c
1ccccc1 - Molecular Weight1
- 319.38
- 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° | -306.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -550.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.60 | kJ/mol | Joback Calculated Property |
| log10WS | -3.54 | Crippen Calculated Property | |
| logPoct/wat | 2.269 | Crippen Calculated Property | |
| McVol | 234.290 | ml/mol | McGowan Calculated Property |
| Pc | 2859.68 | kPa | Joback Calculated Property |
| Inp | [2469.00; 2469.00] |
|
|
| Inp | 2469.00 | NIST | |
| Inp | 2469.00 | NIST | |
| Tboil | 792.64 | K | Joback Calculated Property |
| Tc | 1019.18 | K | Joback Calculated Property |
| Tfus | 471.30 | K | Joback Calculated Property |
| Vc | 0.894 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [661.32; 725.57] | J/mol×K | [792.64; 1019.18] |
|
| Cp,gas | 661.32 | J/mol×K | 792.64 | Joback Calculated Property |
| Cp,gas | 675.36 | J/mol×K | 830.40 | Joback Calculated Property |
| Cp,gas | 688.01 | J/mol×K | 868.15 | Joback Calculated Property |
| Cp,gas | 699.32 | J/mol×K | 905.91 | Joback Calculated Property |
| Cp,gas | 709.33 | J/mol×K | 943.67 | Joback Calculated Property |
| Cp,gas | 718.07 | J/mol×K | 981.43 | Joback Calculated Property |
| Cp,gas | 725.57 | J/mol×K | 1019.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-(2-Acetyloxy-1-phenyl-ethyl)-benzenesulfonamide.
Sources
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