- InChI
- InChI=1S/C10H12S4/c1-5-6(2)12-9(11-5)10-13-7(3)8(4)14-10/h1-4H3
- InChI Key
- HGOTVGUTJPNVDR-UHFFFAOYSA-N
- Formula
- C10H12S4
- SMILES
- CC1=C(C)SC(=C2SC(C)=C(C)S2)S1
- Molecular Weight1
- 260.46
- CAS
- 50708-37-7
- Other Names
-
- 1,3-Dithiole,2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-4,5-dimethyl-
- 4,5,4',5'-Tetramethyl-[2,2']bi[[1,3]dithiolindene]
- 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).
- 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).
- 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° | 313.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 197.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.08 | kJ/mol | Joback Calculated Property |
| IE | [6.03; 6.40] | eV |
|
| IE | 6.03 | eV | NIST |
| IE | 6.40 | eV | NIST |
| log10WS | -6.86 | Crippen Calculated Property | |
| logPoct/wat | 5.576 | Crippen Calculated Property | |
| McVol | 182.540 | ml/mol | McGowan Calculated Property |
| Pc | 3235.66 | kPa | Joback Calculated Property |
| Tboil | 686.78 | K | Joback Calculated Property |
| Tc | 972.62 | K | Joback Calculated Property |
| Tfus | 643.94 | K | Joback Calculated Property |
| Vc | 0.622 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [409.31; 476.49] | J/mol×K | [686.78; 972.62] |
|
| Cp,gas | 409.31 | J/mol×K | 686.78 | Joback Calculated Property |
| Cp,gas | 422.56 | J/mol×K | 734.42 | Joback Calculated Property |
| Cp,gas | 434.87 | J/mol×K | 782.06 | Joback Calculated Property |
| Cp,gas | 446.32 | J/mol×K | 829.70 | Joback Calculated Property |
| Cp,gas | 457.02 | J/mol×K | 877.34 | Joback Calculated Property |
| Cp,gas | 467.04 | J/mol×K | 924.98 | Joback Calculated Property |
| Cp,gas | 476.49 | J/mol×K | 972.62 | Joback Calculated Property |
Similar Compounds
![1-(4-Methyl-4H-[1,3]dithiin-2-yl)-propane-2-thiol.](data:image/png;base64,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)
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