- InChI
- InChI=1S/C9H10O2S/c1-11-9(10)7-12-8-5-3-2-4-6-8/h2-6H,7H2,1H3
- InChI Key
- MUNSXQQODXYRKI-UHFFFAOYSA-N
- Formula
- C9H10O2S
- SMILES
- COC(=O)CSc1ccccc1
- Molecular Weight1
- 182.24
- CAS
- 17277-58-6
- Other Names
-
- Methyl (phenylthio)acetate
- Acetic acid, (phenylthio)-, methyl ester
- Methyl phenylsulfenylacetate
- 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° | -63.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -195.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.88 | kJ/mol | Joback Calculated Property |
| log10WS | -1.92 | Crippen Calculated Property | |
| logPoct/wat | 1.952 | Crippen Calculated Property | |
| McVol | 137.700 | ml/mol | McGowan Calculated Property |
| Pc | 3509.58 | kPa | Joback Calculated Property |
| Tboil | 577.07 | K | Joback Calculated Property |
| Tc | 813.29 | K | Joback Calculated Property |
| Tfus | 324.17 | K | Joback Calculated Property |
| Vc | 0.509 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [304.29; 368.59] | J/mol×K | [577.07; 813.29] | 
|
| Cp,gas | 304.29 | J/mol×K | 577.07 | Joback Calculated Property |
| Cp,gas | 317.08 | J/mol×K | 616.44 | Joback Calculated Property |
| Cp,gas | 329.02 | J/mol×K | 655.81 | Joback Calculated Property |
| Cp,gas | 340.13 | J/mol×K | 695.18 | Joback Calculated Property |
| Cp,gas | 350.42 | J/mol×K | 734.55 | Joback Calculated Property |
| Cp,gas | 359.90 | J/mol×K | 773.92 | Joback Calculated Property |
| Cp,gas | 368.59 | J/mol×K | 813.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Phenylthio)acetic acid methyl ester.
Sources
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