- InChI
- InChI=1S/C8H18S/c1-6(2)8(5)9-7(3)4/h6-8H,1-5H3
- InChI Key
- ORHDFBKJWLKEBC-UHFFFAOYSA-N
- Formula
- C8H18S
- SMILES
- CC(C)SC(C)C(C)C
- Molecular Weight1
- 146.29
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.3214 | Relay (... Calculated Property | |
| ΔfG° | 42.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -190.07 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 10.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.22 | kJ/mol | Relay (... Calculated Property |
| IE | 8.13 | eV | Relay (... Calculated Property |
| log10WS | -3.35 | Relay (... Calculated Property | |
| logPoct/wat | 3.172 | Crippen Calculated Property | |
| McVol | 139.930 | ml/mol | McGowan Calculated Property |
| Pc | 2643.39 | kPa | Joback Calculated Property |
| Inp | [960.00; 960.00] |
|
|
| Inp | 960.00 | NIST | |
| Inp | 960.00 | NIST | |
| Inp | 960.00 | NIST | |
| Inp | 960.00 | NIST | |
| Tboil | 432.97 | K | Relay (... Calculated Property |
| Tc | 614.14 | K | Relay (... Calculated Property |
| Tfus | 198.52 | K | Relay (... Calculated Property |
| Vc | 0.493 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [287.21; 368.25] | J/mol×K | [449.90; 648.57] |
|
| Cp,gas | 287.21 | J/mol×K | 449.90 | Joback Calculated Property |
| Cp,gas | 302.33 | J/mol×K | 483.01 | Joback Calculated Property |
| Cp,gas | 316.79 | J/mol×K | 516.12 | Joback Calculated Property |
| Cp,gas | 330.60 | J/mol×K | 549.24 | Joback Calculated Property |
| Cp,gas | 343.77 | J/mol×K | 582.35 | Joback Calculated Property |
| Cp,gas | 356.32 | J/mol×K | 615.46 | Joback Calculated Property |
| Cp,gas | 368.25 | J/mol×K | 648.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,5-trimethyl-3-thiahexane.
Sources
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