- InChI
- InChI=1S/C11H15NO4S/c1-8-4-6-10(7-5-8)17(14,15)12-11(13)9(2)16-3/h4-7,9H,1-3H3,(H,12,13)
- InChI Key
- RSDRHGLMKFCKID-UHFFFAOYSA-N
- Formula
- C11H15NO4S
- SMILES
-
COC(C)C(=O)NS(=O)(=O)c1ccc(C)c
c1 - Molecular Weight1
- 257.31
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6724 | Relay (1.0) Calculated Property | |
| ΔfG° | -470.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -633.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.835 | Crippen Calculated Property | |
| McVol | 187.600 | ml/mol | McGowan Calculated Property |
| Pc | 3318.18 | kPa | Joback Calculated Property |
| Inp | [1994.00; 1994.00] |
|
|
| Inp | 1994.00 | NIST | |
| Inp | 1994.00 | NIST | |
| Tboil | 601.73 | K | Relay (1.0) Calculated Property |
| Tc | 852.75 | K | Relay (1.0) Calculated Property |
| Tfus | 414.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.656 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [480.87; 551.19] | J/mol×K | [656.54; 863.47] |
|
| Cp,gas | 480.87 | J/mol×K | 656.54 | Joback Calculated Property |
| Cp,gas | 494.90 | J/mol×K | 691.03 | Joback Calculated Property |
| Cp,gas | 508.00 | J/mol×K | 725.52 | Joback Calculated Property |
| Cp,gas | 520.18 | J/mol×K | 760.00 | Joback Calculated Property |
| Cp,gas | 531.44 | J/mol×K | 794.49 | Joback Calculated Property |
| Cp,gas | 541.78 | J/mol×K | 828.98 | Joback Calculated Property |
| Cp,gas | 551.19 | J/mol×K | 863.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-(2-Hydroxy-propionyl)-4-methyl-benzenesulfonamide, O-methyl-.
Sources
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