- InChI
- InChI=1S/C16H19NO3S/c1-13-8-10-15(11-9-13)21(18,19)17-12-16(20-2)14-6-4-3-5-7-14/h3-11,16-17H,12H2,1-2H3
- InChI Key
- ZUVKONYUKGMKQC-UHFFFAOYSA-N
- Formula
- C16H19NO3S
- SMILES
-
COC(CNS(=O)(=O)c1ccc(C)cc1)c1c
cccc1 - Molecular Weight1
- 305.39
- 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° | -187.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -449.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.52 | kJ/mol | Joback Calculated Property |
| log10WS | -3.82 | Crippen Calculated Property | |
| logPoct/wat | 2.661 | Crippen Calculated Property | |
| McVol | 232.720 | ml/mol | McGowan Calculated Property |
| Pc | 2635.25 | kPa | Joback Calculated Property |
| Inp | [2500.00; 2500.00] |
|
|
| Inp | 2500.00 | NIST | |
| Inp | 2500.00 | NIST | |
| Tboil | 743.75 | K | Joback Calculated Property |
| Tc | 965.45 | K | Joback Calculated Property |
| Tfus | 433.89 | K | Joback Calculated Property |
| Vc | 0.888 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [644.78; 721.86] | J/mol×K | [743.75; 965.45] |
|
| Cp,gas | 644.78 | J/mol×K | 743.75 | Joback Calculated Property |
| Cp,gas | 660.87 | J/mol×K | 780.70 | Joback Calculated Property |
| Cp,gas | 675.62 | J/mol×K | 817.65 | Joback Calculated Property |
| Cp,gas | 689.07 | J/mol×K | 854.60 | Joback Calculated Property |
| Cp,gas | 701.23 | J/mol×K | 891.55 | Joback Calculated Property |
| Cp,gas | 712.15 | J/mol×K | 928.50 | Joback Calculated Property |
| Cp,gas | 721.86 | J/mol×K | 965.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-(2-Hydroxy-2-phenyl-ethyl)-4-methyl-benzenesulfonamide, O-methyl-.
Sources
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