- InChI
- InChI=1S/C8H18S2/c1-5-6-8(10-4)7(2)9-3/h7-8H,5-6H2,1-4H3/t7-,8-/m0/s1
- InChI Key
- CWHNWBBWKOZADZ-YUMQZZPRSA-N
- Formula
- C8H18S2
- SMILES
- CCCC(SC)C(C)SC
- Molecular Weight1
- 178.36
- 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° | 77.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -135.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.26 | kJ/mol | Joback Calculated Property |
| log10WS | -3.16 | Crippen Calculated Property | |
| logPoct/wat | 3.270 | Crippen Calculated Property | |
| McVol | 156.280 | ml/mol | McGowan Calculated Property |
| Pc | 2668.02 | kPa | Joback Calculated Property |
| Inp | [1287.00; 1287.00] |
|
|
| Inp | 1287.00 | NIST | |
| Inp | 1287.00 | NIST | |
| Tboil | 519.12 | K | Joback Calculated Property |
| Tc | 734.48 | K | Joback Calculated Property |
| Tfus | 218.72 | K | Joback Calculated Property |
| Vc | 0.580 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [341.26; 421.93] | J/mol×K | [519.12; 734.48] |
|
| Cp,gas | 341.26 | J/mol×K | 519.12 | Joback Calculated Property |
| Cp,gas | 356.56 | J/mol×K | 555.01 | Joback Calculated Property |
| Cp,gas | 371.10 | J/mol×K | 590.91 | Joback Calculated Property |
| Cp,gas | 384.91 | J/mol×K | 626.80 | Joback Calculated Property |
| Cp,gas | 397.97 | J/mol×K | 662.70 | Joback Calculated Property |
| Cp,gas | 410.31 | J/mol×K | 698.59 | Joback Calculated Property |
| Cp,gas | 421.93 | J/mol×K | 734.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexane, 2,3-bis-(methylthio), threo.
Sources
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