- InChI
- InChI=1S/C17H22N2O2S/c1-4-19(5-2)16-10-8-15(9-11-16)18-22(20,21)17-12-6-14(3)7-13-17/h6-13,18H,4-5H2,1-3H3
- InChI Key
- ONDXXZIDUKAMOL-UHFFFAOYSA-N
- Formula
- C17H22N2O2S
- SMILES
-
CCN(CC)c1ccc(NS(=O)(=O)c2ccc(C
)cc2)cc1 - Molecular Weight1
- 318.43
- CAS
- 19770-76-4
- 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).
- 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° | 29.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -276.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.43 | kJ/mol | Joback Calculated Property |
| log10WS | -4.20 | Crippen Calculated Property | |
| logPoct/wat | 3.642 | Crippen Calculated Property | |
| McVol | 250.920 | ml/mol | McGowan Calculated Property |
| Pc | 2374.90 | kPa | Joback Calculated Property |
| Tboil | 762.07 | K | Joback Calculated Property |
| Tc | 977.42 | K | Joback Calculated Property |
| Tfus | 482.92 | K | Joback Calculated Property |
| Vc | 0.951 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [711.58; 791.39] | J/mol×K | [762.07; 977.42] | 
|
| Cp,gas | 711.58 | J/mol×K | 762.07 | Joback Calculated Property |
| Cp,gas | 727.95 | J/mol×K | 797.96 | Joback Calculated Property |
| Cp,gas | 743.02 | J/mol×K | 833.85 | Joback Calculated Property |
| Cp,gas | 756.85 | J/mol×K | 869.75 | Joback Calculated Property |
| Cp,gas | 769.49 | J/mol×K | 905.64 | Joback Calculated Property |
| Cp,gas | 780.99 | J/mol×K | 941.53 | Joback Calculated Property |
| Cp,gas | 791.39 | J/mol×K | 977.42 | Joback Calculated Property |
Similar Compounds
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Sources
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