- InChI
- InChI=1S/C6H14S2/c1-3-6(2)8-5-4-7/h6-7H,3-5H2,1-2H3
- InChI Key
- FVLJREBFJZSBHB-UHFFFAOYSA-N
- Formula
- C6H14S2
- SMILES
- CCC(C)SCCS
- Molecular Weight1
- 150.31
- 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 | 0.3777 | Relay (... Calculated Property | |
| ΔfG° | 59.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -119.40 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 15.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.19 | kJ/mol | Relay (... Calculated Property |
| IE | 8.73 | eV | Relay (... Calculated Property |
| log10WS | -2.04 | Relay (... Calculated Property | |
| logPoct/wat | 2.448 | Crippen Calculated Property | |
| McVol | 128.100 | ml/mol | McGowan Calculated Property |
| Pc | 3439.94 | kPa | Joback Calculated Property |
| Inp | 1163.00 | NIST | |
| Tboil | 464.31 | K | Relay (... Calculated Property |
| Tc | 676.30 | K | Relay (... Calculated Property |
| Tfus | 193.37 | K | Relay (... Calculated Property |
| Vc | 0.429 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [252.45; 319.29] | J/mol×K | [467.88; 685.33] | 
|
| Cp,gas | 252.45 | J/mol×K | 467.88 | Joback Calculated Property |
| Cp,gas | 265.08 | J/mol×K | 504.12 | Joback Calculated Property |
| Cp,gas | 277.09 | J/mol×K | 540.36 | Joback Calculated Property |
| Cp,gas | 288.51 | J/mol×K | 576.61 | Joback Calculated Property |
| Cp,gas | 299.34 | J/mol×K | 612.85 | Joback Calculated Property |
| Cp,gas | 309.60 | J/mol×K | 649.09 | Joback Calculated Property |
| Cp,gas | 319.29 | J/mol×K | 685.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methyl-3-thia-1-hexanethiol.
Sources
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