- InChI
- InChI=1S/C8H10O2S/c1-9-7-4-3-6(11)5-8(7)10-2/h3-5,11H,1-2H3
- InChI Key
- MTKAJLNGIVXZIS-UHFFFAOYSA-N
- Formula
- C8H10O2S
- SMILES
- COc1ccc(S)cc1OC
- Molecular Weight1
- 170.23
- CAS
- 700-96-9
- 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° | -70.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -220.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.56 | kJ/mol | Joback Calculated Property |
| log10WS | -2.22 | Crippen Calculated Property | |
| logPoct/wat | 1.992 | Crippen Calculated Property | |
| McVol | 127.910 | ml/mol | McGowan Calculated Property |
| Pc | 3650.93 | kPa | Joback Calculated Property |
| Tboil | 526.78 | K | Joback Calculated Property |
| Tc | 758.79 | K | Joback Calculated Property |
| Tfus | 312.30 | K | Joback Calculated Property |
| Vc | 0.466 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [265.42; 328.37] | J/mol×K | [526.78; 758.79] | 
|
| Cp,gas | 265.42 | J/mol×K | 526.78 | Joback Calculated Property |
| Cp,gas | 277.34 | J/mol×K | 565.45 | Joback Calculated Property |
| Cp,gas | 288.71 | J/mol×K | 604.12 | Joback Calculated Property |
| Cp,gas | 299.51 | J/mol×K | 642.79 | Joback Calculated Property |
| Cp,gas | 309.73 | J/mol×K | 681.45 | Joback Calculated Property |
| Cp,gas | 319.36 | J/mol×K | 720.12 | Joback Calculated Property |
| Cp,gas | 328.37 | J/mol×K | 758.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Dimethoxythiophenol.
Sources
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