- InChI
- InChI=1S/C5H10S2/c1-5(2)3-4-6-7-5/h3-4H2,1-2H3
- InChI Key
- LFHJFWOMFQJUBC-UHFFFAOYSA-N
- Formula
- C5H10S2
- SMILES
- CC1(C)CCSS1
- Molecular Weight1
- 134.26
- ω : Acentric Factor.
- 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).
- 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 | 0.2343 | Relay (... Calculated Property | |
| ΔfG° | 102.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -29.66 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 3.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.80 | kJ/mol | Relay (... Calculated Property |
| IE | 8.08 | eV | Relay (... Calculated Property |
| log10WS | -2.30 | Relay (... Calculated Property | |
| logPoct/wat | 2.550 | Crippen Calculated Property | |
| McVol | 103.150 | ml/mol | McGowan Calculated Property |
| Pc | 4534.68 | kPa | Joback Calculated Property |
| I | [1462.00; 1462.00] |
|
|
| I | 1462.00 | NIST | |
| I | 1462.00 | NIST | |
| Tboil | 453.01 | K | Relay (... Calculated Property |
| Tc | 680.80 | K | Relay (... Calculated Property |
| Tfus | 220.42 | K | Relay (... Calculated Property |
| Vc | 0.359 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [187.46; 252.13] | J/mol×K | [424.98; 669.18] |
|
| Cp,gas | 187.46 | J/mol×K | 424.98 | Joback Calculated Property |
| Cp,gas | 200.86 | J/mol×K | 465.68 | Joback Calculated Property |
| Cp,gas | 212.99 | J/mol×K | 506.38 | Joback Calculated Property |
| Cp,gas | 224.02 | J/mol×K | 547.08 | Joback Calculated Property |
| Cp,gas | 234.11 | J/mol×K | 587.78 | Joback Calculated Property |
| Cp,gas | 243.43 | J/mol×K | 628.48 | Joback Calculated Property |
| Cp,gas | 252.13 | J/mol×K | 669.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,3'-dimethyl-1,2-dithiolane.
Sources
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