- InChI
- InChI=1S/C11H12O2S2/c1-9(11-5-3-7-13-11)15-14-8-10-4-2-6-12-10/h2-7,9H,8H2,1H3
- InChI Key
- NTRHPKKYOZDMGL-UHFFFAOYSA-N
- Formula
- C11H12O2S2
- SMILES
- CC(SSCc1ccco1)c1ccco1
- Molecular Weight1
- 240.34
- 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.
- I : 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 | 0.4495 | Relay (1.0) Calculated Property | |
| ΔfG° | 62.55 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -62.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 84.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.515 | Crippen Calculated Property | |
| McVol | 171.370 | ml/mol | McGowan Calculated Property |
| Pc | 2705.25 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1696.00; 1696.00] |
|
|
| Inp | 1696.00 | NIST | |
| Inp | 1696.00 | NIST | |
| I | [2449.00; 2449.00] |
|
|
| I | 2449.00 | NIST | |
| I | 2449.00 | NIST | |
| Tboil | 588.26 | K | Relay (1.0) Calculated Property |
| Tc | 813.85 | K | Relay (1.0) Calculated Property |
| Tfus | 297.07 | K | Relay (1.0) Calculated Property |
| Vc | 0.636 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to (2-furfuryl)-(1-(2'-furyl)-1-ethyl) 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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