- InChI
- InChI=1S/C10H15NO2S/c1-9(2)8-11-14(12,13)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
- InChI Key
- XRTYMJYAOZHUHI-UHFFFAOYSA-N
- Formula
- C10H15NO2S
- SMILES
- CC(C)CNS(=O)(=O)c1ccccc1
- Molecular Weight1
- 213.30
- CAS
- 23705-39-7
- 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° | -235.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -418.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.81 | kJ/mol | Joback Calculated Property |
| log10WS | -2.36 | Crippen Calculated Property | |
| logPoct/wat | 1.621 | Crippen Calculated Property | |
| McVol | 166.070 | ml/mol | McGowan Calculated Property |
| Pc | 3581.35 | kPa | Joback Calculated Property |
| Tboil | 552.39 | K | Joback Calculated Property |
| Tc | 756.13 | K | Joback Calculated Property |
| Tfus | 305.10 | K | Joback Calculated Property |
| Vc | 0.642 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [386.92; 466.55] | J/mol×K | [552.39; 756.13] | 
|
| Cp,gas | 386.92 | J/mol×K | 552.39 | Joback Calculated Property |
| Cp,gas | 402.41 | J/mol×K | 586.35 | Joback Calculated Property |
| Cp,gas | 416.99 | J/mol×K | 620.30 | Joback Calculated Property |
| Cp,gas | 430.68 | J/mol×K | 654.26 | Joback Calculated Property |
| Cp,gas | 443.49 | J/mol×K | 688.22 | Joback Calculated Property |
| Cp,gas | 455.44 | J/mol×K | 722.18 | Joback Calculated Property |
| Cp,gas | 466.55 | J/mol×K | 756.13 | Joback Calculated Property |
Similar Compounds
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Sources
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