- InChI
- InChI=1S/C7H14S/c1-6-3-7(2)5-8-4-6/h6-7H,3-5H2,1-2H3
- InChI Key
- DOCBNWCSPRIBFJ-UHFFFAOYSA-N
- Formula
- C7H14S
- SMILES
- CC1CSCC(C)C1
- Molecular Weight1
- 130.26
- Other Names
-
- trans-3,5-dimethyl-thiacyclohexane
- 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).
- IE : Ionization energy (eV).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.2508 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -122.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.08 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.396 | Crippen Calculated Property | |
| McVol | 114.980 | ml/mol | McGowan Calculated Property |
| Pc | 3364.54 | kPa | Joback Calculated Property |
| Tboil | 440.93 | K | Relay (1.0) Calculated Property |
| Tc | 651.90 | K | Relay (1.0) Calculated Property |
| Tfus | 207.55 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, 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 | [220.79; 309.67] | J/mol×K | [422.47; 641.66] | 
|
| Cp,gas | 220.79 | J/mol×K | 422.47 | Joback Calculated Property |
| Cp,gas | 237.65 | J/mol×K | 459.00 | Joback Calculated Property |
| Cp,gas | 253.67 | J/mol×K | 495.53 | Joback Calculated Property |
| Cp,gas | 268.86 | J/mol×K | 532.06 | Joback Calculated Property |
| Cp,gas | 283.24 | J/mol×K | 568.60 | Joback Calculated Property |
| Cp,gas | 296.84 | J/mol×K | 605.13 | Joback Calculated Property |
| Cp,gas | 309.67 | J/mol×K | 641.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trans-3,5-dimethylthiane.
Sources
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