- InChI
- InChI=1S/C8H18OS2/c1-8(2,9)5-7(11-4)6-10-3/h7,9H,5-6H2,1-4H3
- InChI Key
- RCBRDIFTKBOJEU-UHFFFAOYSA-N
- Formula
- C8H18OS2
- SMILES
- CSCC(CC(C)(C)O)SC
- Molecular Weight1
- 194.36
- 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 | 0.6035 | Relay (1.0) Calculated Property | |
| ΔfG° | -53.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -335.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.242 | Crippen Calculated Property | |
| McVol | 162.150 | ml/mol | McGowan Calculated Property |
| Pc | 2976.29 | kPa | Joback Calculated Property |
| Inp | 1393.00 | NIST | |
| Tboil | 531.05 | K | Relay (1.0) Calculated Property |
| Tc | 723.69 | K | Relay (1.0) Calculated Property |
| Tfus | 286.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.544 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [398.95; 466.04] | J/mol×K | [608.51; 816.40] | 
|
| Cp,gas | 398.95 | J/mol×K | 608.51 | Joback Calculated Property |
| Cp,gas | 411.98 | J/mol×K | 643.16 | Joback Calculated Property |
| Cp,gas | 424.24 | J/mol×K | 677.81 | Joback Calculated Property |
| Cp,gas | 435.75 | J/mol×K | 712.46 | Joback Calculated Property |
| Cp,gas | 446.53 | J/mol×K | 747.10 | Joback Calculated Property |
| Cp,gas | 456.62 | J/mol×K | 781.75 | Joback Calculated Property |
| Cp,gas | 466.04 | J/mol×K | 816.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butanol, 2-methyl, 3,4-bis-(methylthio).
Sources
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