- InChI
- InChI=1S/C8H18S2/c1-6(2)8(5)10-9-7(3)4/h6-8H,1-5H3
- InChI Key
- XVUIFQKOTMJJIU-UHFFFAOYSA-N
- Formula
- C8H18S2
- SMILES
- CC(C)SSC(C)C(C)C
- Molecular Weight1
- 178.36
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 75.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -140.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.87 | kJ/mol | Joback Calculated Property |
| log10WS | -3.91 | Crippen Calculated Property | |
| logPoct/wat | 3.821 | Crippen Calculated Property | |
| McVol | 156.280 | ml/mol | McGowan Calculated Property |
| Pc | 2690.21 | kPa | Joback Calculated Property |
| Inp | 1191.00 | NIST | |
| Tboil | 518.68 | K | Joback Calculated Property |
| Tc | 738.98 | K | Joback Calculated Property |
| Tfus | 203.72 | K | Joback Calculated Property |
| Vc | 0.574 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [341.53; 424.08] | J/mol×K | [518.68; 738.98] | 
|
| Cp,gas | 341.53 | J/mol×K | 518.68 | Joback Calculated Property |
| Cp,gas | 357.25 | J/mol×K | 555.40 | Joback Calculated Property |
| Cp,gas | 372.18 | J/mol×K | 592.11 | Joback Calculated Property |
| Cp,gas | 386.31 | J/mol×K | 628.83 | Joback Calculated Property |
| Cp,gas | 399.67 | J/mol×K | 665.55 | Joback Calculated Property |
| Cp,gas | 412.26 | J/mol×K | 702.26 | Joback Calculated Property |
| Cp,gas | 424.08 | J/mol×K | 738.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5,6-trimethyl-3,4-dithiaheptane.
Sources
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