- InChI
- InChI=1S/C7H10S2/c1-5-4-9-7(8-3)6(5)2/h4H,1-3H3
- InChI Key
- XHHSQVPPAQTZFT-UHFFFAOYSA-N
- Formula
- C7H10S2
- SMILES
- CSc1scc(C)c1C
- Molecular Weight1
- 158.28
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.3247 | Relay (... Calculated Property | |
| ΔfG° | 124.19 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 45.80 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 59.49 | kJ/mol | Relay (... Calculated Property |
| IE | 7.78 | eV | Relay (... Calculated Property |
| log10WS | -3.92 | Relay (... Calculated Property | |
| logPoct/wat | 3.087 | Crippen Calculated Property | |
| McVol | 122.730 | ml/mol | McGowan Calculated Property |
| Pc | 3534.58 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1460.00; 1514.00] |
|
|
| Inp | 1460.00 | NIST | |
| Inp | 1505.00 | NIST | |
| Inp | 1514.00 | NIST | |
| Tboil | 490.63 | K | Relay (... Calculated Property |
| Tc | 711.38 | K | Relay (... Calculated Property |
| Tfus | 257.35 | K | Relay (... Calculated Property |
| Vc | 0.427 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 3,4-dimethyl-2-thienyl disulfide.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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