![2-[(2-furylmethyl)dithio]-3-pentanone](/cid/124-014-8/2-2-furylmethyl-dithio-3-pentanone.png "2-[(2-furylmethyl)dithio]-3-pentanone")
- InChI
- InChI=1S/C10H14O2S2/c1-3-10(11)8(2)14-13-7-9-5-4-6-12-9/h4-6,8H,3,7H2,1-2H3
- InChI Key
- YWUGFXRRVFFUFD-UHFFFAOYSA-N
- Formula
- C10H14O2S2
- SMILES
- CCC(=O)C(C)SSCc1ccco1
- Molecular Weight1
- 230.35
- 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 | 0.4631 | Relay (1.0) Calculated Property | |
| ΔfG° | -58.92 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -255.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 70.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.529 | Crippen Calculated Property | |
| McVol | 172.440 | ml/mol | McGowan Calculated Property |
| Pc | 2432.75 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1686.00; 1686.00] |
|
|
| Inp | 1686.00 | NIST | |
| Inp | 1686.00 | NIST | |
| Tboil | 565.07 | K | Relay (1.0) Calculated Property |
| Tc | 772.50 | K | Relay (1.0) Calculated Property |
| Tfus | 303.42 | K | Relay (1.0) Calculated Property |
| Vc | 0.596 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-[(2-furylmethyl)dithio]-3-pentanone.
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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