- InChI
- InChI=1S/C9H10O2S/c1-7(10)11-8-5-3-4-6-9(8)12-2/h3-6H,1-2H3
- InChI Key
- AVQLMCFSPDGCKF-UHFFFAOYSA-N
- Formula
- C9H10O2S
- SMILES
- CSc1ccccc1OC(C)=O
- Molecular Weight1
- 182.24
- 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 | 0.4729 | Relay (1.0) Calculated Property | |
| ΔfG° | -73.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -287.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.334 | Crippen Calculated Property | |
| McVol | 137.700 | ml/mol | McGowan Calculated Property |
| Pc | 3448.03 | kPa | Joback Calculated Property |
| Inp | 1428.10 | NIST | |
| Tboil | 532.69 | K | Relay (1.0) Calculated Property |
| Tc | 737.17 | K | Relay (1.0) Calculated Property |
| Tfus | 288.73 | K | Relay (1.0) Calculated Property |
| Vc | 0.482 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [303.44; 366.72] | J/mol×K | [582.05; 819.33] | 
|
| Cp,gas | 303.44 | J/mol×K | 582.05 | Joback Calculated Property |
| Cp,gas | 315.94 | J/mol×K | 621.60 | Joback Calculated Property |
| Cp,gas | 327.66 | J/mol×K | 661.14 | Joback Calculated Property |
| Cp,gas | 338.59 | J/mol×K | 700.69 | Joback Calculated Property |
| Cp,gas | 348.75 | J/mol×K | 740.23 | Joback Calculated Property |
| Cp,gas | 358.12 | J/mol×K | 779.78 | Joback Calculated Property |
| Cp,gas | 366.72 | J/mol×K | 819.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-(Methylthio)phenol, acetate.
Sources
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