- InChI
- InChI=1S/C7H16S2/c1-3-4-5-6-7-9-8-2/h3-7H2,1-2H3
- InChI Key
- WZUAZKYWEVGSEC-UHFFFAOYSA-N
- Formula
- C7H16S2
- SMILES
- CCCCCCSSC
- Molecular Weight1
- 164.33
- CAS
- 64580-52-5
- Other Names
-
- Hexyl methyl disulfide
- 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).
- I : 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° | 74.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -104.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.81 | kJ/mol | Joback Calculated Property |
| log10WS | -3.51 | Crippen Calculated Property | |
| logPoct/wat | 3.578 | Crippen Calculated Property | |
| McVol | 142.190 | ml/mol | McGowan Calculated Property |
| Pc | 2902.98 | kPa | Joback Calculated Property |
| I | [1540.00; 1605.00] |
|
|
| I | 1540.00 | NIST | |
| I | 1605.00 | NIST | |
| I | 1605.00 | NIST | |
| Tboil | 497.12 | K | Joback Calculated Property |
| Tc | 706.23 | K | Joback Calculated Property |
| Tfus | 237.45 | K | Joback Calculated Property |
| Vc | 0.535 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [296.36; 368.15] | J/mol×K | [497.12; 706.23] |
|
| Cp,gas | 296.36 | J/mol×K | 497.12 | Joback Calculated Property |
| Cp,gas | 309.83 | J/mol×K | 531.97 | Joback Calculated Property |
| Cp,gas | 322.69 | J/mol×K | 566.82 | Joback Calculated Property |
| Cp,gas | 334.95 | J/mol×K | 601.67 | Joback Calculated Property |
| Cp,gas | 346.61 | J/mol×K | 636.52 | Joback Calculated Property |
| Cp,gas | 357.67 | J/mol×K | 671.38 | Joback Calculated Property |
| Cp,gas | 368.15 | J/mol×K | 706.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl n-hexyl disulfide.
Sources
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