- InChI
- InChI=1S/C7H16S2/c1-7(2,3)5-6-9-8-4/h5-6H2,1-4H3
- InChI Key
- QLGQFGHJRPPYRB-UHFFFAOYSA-N
- Formula
- C7H16S2
- SMILES
- CSSCCC(C)(C)C
- Molecular Weight1
- 164.34
- ω : Acentric Factor.
- 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).
- 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 | 0.3195 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -135.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.01 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.434 | Crippen Calculated Property | |
| McVol | 142.190 | ml/mol | McGowan Calculated Property |
| Pc | 2963.34 | kPa | Joback Calculated Property |
| Inp | 1102.00 | NIST | |
| Tboil | 467.37 | K | Relay (1.0) Calculated Property |
| Tc | 668.63 | K | Relay (1.0) Calculated Property |
| Tfus | 209.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.488 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy, 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 | [299.60; 375.30] | J/mol×K | [494.09; 717.34] | 
|
| Cp,gas | 299.60 | J/mol×K | 494.09 | Joback Calculated Property |
| Cp,gas | 314.25 | J/mol×K | 531.30 | Joback Calculated Property |
| Cp,gas | 328.05 | J/mol×K | 568.51 | Joback Calculated Property |
| Cp,gas | 341.03 | J/mol×K | 605.71 | Joback Calculated Property |
| Cp,gas | 353.21 | J/mol×K | 642.92 | Joback Calculated Property |
| Cp,gas | 364.62 | J/mol×K | 680.13 | Joback Calculated Property |
| Cp,gas | 375.30 | J/mol×K | 717.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2-dimethyl-5,6-dithiaheptane.
Sources
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