- InChI
- InChI=1S/C8H18S/c1-6-8(4,5)9-7(2)3/h7H,6H2,1-5H3
- InChI Key
- NCVWNQQEGJYSTR-UHFFFAOYSA-N
- Formula
- C8H18S
- SMILES
- CCC(C)(C)SC(C)C
- Molecular Weight1
- 146.29
- 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° | 50.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -180.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.54 | kJ/mol | Joback Calculated Property |
| log10WS | -3.28 | Crippen Calculated Property | |
| logPoct/wat | 3.317 | Crippen Calculated Property | |
| McVol | 139.930 | ml/mol | McGowan Calculated Property |
| Pc | 2651.56 | kPa | Joback Calculated Property |
| Inp | [952.00; 952.00] |
|
|
| Inp | 952.00 | NIST | |
| Inp | 952.00 | NIST | |
| Inp | 952.00 | NIST | |
| Inp | 952.00 | NIST | |
| Tboil | 447.55 | K | Joback Calculated Property |
| Tc | 649.97 | K | Joback Calculated Property |
| Tfus | 201.74 | K | Joback Calculated Property |
| Vc | 0.520 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [289.43; 371.87] | J/mol×K | [447.55; 649.97] |
|
| Cp,gas | 289.43 | J/mol×K | 447.55 | Joback Calculated Property |
| Cp,gas | 305.13 | J/mol×K | 481.29 | Joback Calculated Property |
| Cp,gas | 320.01 | J/mol×K | 515.02 | Joback Calculated Property |
| Cp,gas | 334.09 | J/mol×K | 548.76 | Joback Calculated Property |
| Cp,gas | 347.41 | J/mol×K | 582.50 | Joback Calculated Property |
| Cp,gas | 359.99 | J/mol×K | 616.23 | Joback Calculated Property |
| Cp,gas | 371.87 | J/mol×K | 649.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,4-trimethyl-3-thiahexane.
Sources
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