- InChI
- InChI=1S/C7H10S3/c1-5-4-9-7(6(5)2)10-8-3/h4H,1-3H3
- InChI Key
- RGPFFCJRZNZZJL-UHFFFAOYSA-N
- Formula
- C7H10S3
- SMILES
- CSSc1scc(C)c1C
- Molecular Weight1
- 190.35
- CAS
- 126876-26-4
- 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 | 0.3355 | Relay (1.0) Calculated Property | |
| ΔfG° | 156.16 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 60.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 65.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.735 | Crippen Calculated Property | |
| McVol | 139.080 | ml/mol | McGowan Calculated Property |
| Pc | 3204.77 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1500.20; 1500.20] |
|
|
| Inp | 1500.20 | NIST | |
| Inp | 1500.20 | NIST | |
| Tboil | 532.96 | K | Relay (1.0) Calculated Property |
| Tc | 771.20 | K | Relay (1.0) Calculated Property |
| Tfus | 292.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.469 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-dimethyl-2-(methyldisulfanyl)thiophene.
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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