- InChI
- InChI=1S/C8H18S2/c1-7(2)6-9-10-8(3,4)5/h7H,6H2,1-5H3
- InChI Key
- ZVSGZORIEHXCDY-UHFFFAOYSA-N
- Formula
- C8H18S2
- SMILES
- CC(C)CSSC(C)(C)C
- Molecular Weight1
- 178.36
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -170.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.09 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.822 | Crippen Calculated Property | |
| McVol | 156.280 | ml/mol | McGowan Calculated Property |
| Inp | [1159.00; 1159.00] |
|
|
| Inp | 1159.00 | NIST | |
| Inp | 1159.00 | NIST | |
| Tboil | 469.71 | K | Relay (1.0) Calculated Property |
| Tfus | 209.13 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [344.19; 426.87] | J/mol×K | [516.33; 740.84] |
|
| Cp,gas | 344.19 | J/mol×K | 516.33 | Joback Calculated Property |
| Cp,gas | 360.24 | J/mol×K | 553.75 | Joback Calculated Property |
| Cp,gas | 375.34 | J/mol×K | 591.17 | Joback Calculated Property |
| Cp,gas | 389.53 | J/mol×K | 628.59 | Joback Calculated Property |
| Cp,gas | 402.82 | J/mol×K | 666.00 | Joback Calculated Property |
| Cp,gas | 415.26 | J/mol×K | 703.42 | Joback Calculated Property |
| Cp,gas | 426.87 | J/mol×K | 740.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,6-trimethyl-3,4-dithiaheptane.
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
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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