- InChI
- InChI=1S/C8H10OS/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3
- InChI Key
- YCUXDIFPTHNTSR-UHFFFAOYSA-N
- Formula
- C8H10OS
- SMILES
- COc1ccccc1SC
- Molecular Weight1
- 154.23
- CAS
- 2388-73-0
- Other Names
-
- Anisole, o-(methylthio)-
- o-Methoxyphenyl methyl sulfide
- 1-Methoxy-2-methylthiobenzene
- 2-Methoxythiophenol, S-methyl-
- 1-Methoxy-2-(methylsulfanyl)benzene
- 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 | 0.3807 | Relay (... Calculated Property | |
| ΔfG° | 47.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -64.23 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 15.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.92 | kJ/mol | Relay (... Calculated Property |
| IE | 8.05 | eV | NIST |
| log10WS | -2.44 | Relay (... Calculated Property | |
| logPoct/wat | 2.417 | Crippen Calculated Property | |
| McVol | 122.040 | ml/mol | McGowan Calculated Property |
| Pc | 3585.64 | kPa | Joback Calculated Property |
| Inp | 1350.80 | NIST | |
| Tboil | 505.99 | K | Relay (... Calculated Property |
| Tc | 705.73 | K | Relay (... Calculated Property |
| Tfus | 281.40 | K | Relay (... Calculated Property |
| Vc | 0.425 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [245.37; 310.72] | J/mol×K | [505.30; 738.56] | 
|
| Cp,gas | 245.37 | J/mol×K | 505.30 | Joback Calculated Property |
| Cp,gas | 257.93 | J/mol×K | 544.18 | Joback Calculated Property |
| Cp,gas | 269.82 | J/mol×K | 583.05 | Joback Calculated Property |
| Cp,gas | 281.04 | J/mol×K | 621.93 | Joback Calculated Property |
| Cp,gas | 291.60 | J/mol×K | 660.81 | Joback Calculated Property |
| Cp,gas | 301.49 | J/mol×K | 699.69 | Joback Calculated Property |
| Cp,gas | 310.72 | J/mol×K | 738.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-methoxy-2-(methylthio)-.
Sources
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