- InChI
- InChI=1S/C10H12O3S/c1-12-9-5-4-7(14-3)6-8(9)10(11)13-2/h4-6H,1-3H3
- InChI Key
- ZKFYLVYMPYJXPS-UHFFFAOYSA-N
- Formula
- C10H12O3S
- SMILES
- COC(=O)c1cc(SC)ccc1OC
- Molecular Weight1
- 212.26
- 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° | -179.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -371.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.84 | kJ/mol | Joback Calculated Property |
| log10WS | -2.58 | Crippen Calculated Property | |
| logPoct/wat | 2.204 | Crippen Calculated Property | |
| McVol | 157.660 | ml/mol | McGowan Calculated Property |
| Pc | 2982.79 | kPa | Joback Calculated Property |
| Inp | 1751.00 | NIST | |
| Tboil | 632.33 | K | Joback Calculated Property |
| Tc | 862.46 | K | Joback Calculated Property |
| Tfus | 382.71 | K | Joback Calculated Property |
| Vc | 0.584 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [372.88; 438.71] | J/mol×K | [632.33; 862.46] | 
|
| Cp,gas | 372.88 | J/mol×K | 632.33 | Joback Calculated Property |
| Cp,gas | 385.85 | J/mol×K | 670.69 | Joback Calculated Property |
| Cp,gas | 398.05 | J/mol×K | 709.04 | Joback Calculated Property |
| Cp,gas | 409.46 | J/mol×K | 747.40 | Joback Calculated Property |
| Cp,gas | 420.06 | J/mol×K | 785.75 | Joback Calculated Property |
| Cp,gas | 429.81 | J/mol×K | 824.11 | Joback Calculated Property |
| Cp,gas | 438.71 | J/mol×K | 862.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-(Methylthio)-Salicylic acid, O,O'-dimethyl-.
Sources
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