- InChI
- InChI=1S/C6H14S/c1-6(2,3)5-7-4/h5H2,1-4H3
- InChI Key
- YUFAJXXIXSYTMS-UHFFFAOYSA-N
- Formula
- C6H14S
- SMILES
- CSCC(C)(C)C
- Molecular Weight1
- 118.24
- CAS
- 6079-57-8
- Other Names
-
- Propane, 2,2-dimethyl-1-(methylthio)-
- 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 |
|---|---|---|---|
| ΔfG° | 35.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -134.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.47 | kJ/mol | Joback Calculated Property |
| IE | 8.46 ± 0.05 | eV | NIST |
| log10WS | -1.98 | Crippen Calculated Property | |
| logPoct/wat | 2.396 | Crippen Calculated Property | |
| McVol | 111.750 | ml/mol | McGowan Calculated Property |
| Pc | 3235.66 | kPa | Joback Calculated Property |
| Inp | 823.00 | NIST | |
| Tboil | 402.23 | K | Joback Calculated Property |
| Tc | 604.13 | K | Joback Calculated Property |
| Tfus | 194.20 | K | Joback Calculated Property |
| Vc | 0.414 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [208.29; 276.44] | J/mol×K | [402.23; 604.13] | 
|
| Cp,gas | 208.29 | J/mol×K | 402.23 | Joback Calculated Property |
| Cp,gas | 221.25 | J/mol×K | 435.88 | Joback Calculated Property |
| Cp,gas | 233.54 | J/mol×K | 469.53 | Joback Calculated Property |
| Cp,gas | 245.18 | J/mol×K | 503.18 | Joback Calculated Property |
| Cp,gas | 256.20 | J/mol×K | 536.83 | Joback Calculated Property |
| Cp,gas | 266.61 | J/mol×K | 570.48 | Joback Calculated Property |
| Cp,gas | 276.44 | J/mol×K | 604.13 | Joback Calculated Property |
Similar Compounds
![2-[Isobutylthio]ethanal.](data:image/png;base64,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)
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