- InChI
- InChI=1S/C12H26S2/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-12H2,1-2H3
- InChI Key
- GJPDBURPGLWRPW-UHFFFAOYSA-N
- Formula
- C12H26S2
- SMILES
- CCCCCCSSCCCCCC
- Molecular Weight1
- 234.47
- CAS
- 10496-15-8
- Other Names
-
- Hexyl disulfide
- Dihexyl disulfide
- di-n-Hexyl disulfide
- n-Hexyl disulfide
- dihexyl disulphide
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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° | 116.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -207.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.94 | kJ/mol | Joback Calculated Property |
| log10WS | -5.60 | Crippen Calculated Property | |
| logPoct/wat | 5.528 | Crippen Calculated Property | |
| McVol | 212.640 | ml/mol | McGowan Calculated Property |
| Pc | 1832.54 | kPa | Joback Calculated Property |
| I | [1927.00; 1927.00] |
|
|
| I | 1927.00 | NIST | |
| I | 1927.00 | NIST | |
| Tboil | 611.52 | K | Joback Calculated Property |
| Tc | 806.24 | K | Joback Calculated Property |
| Tfus | 293.80 | K | Joback Calculated Property |
| Vc | 0.816 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [536.12; 627.78] | J/mol×K | [611.52; 806.24] |
|
| Cp,gas | 536.12 | J/mol×K | 611.52 | Joback Calculated Property |
| Cp,gas | 553.45 | J/mol×K | 643.97 | Joback Calculated Property |
| Cp,gas | 569.95 | J/mol×K | 676.43 | Joback Calculated Property |
| Cp,gas | 585.61 | J/mol×K | 708.88 | Joback Calculated Property |
| Cp,gas | 600.46 | J/mol×K | 741.33 | Joback Calculated Property |
| Cp,gas | 614.51 | J/mol×K | 773.79 | Joback Calculated Property |
| Cp,gas | 627.78 | J/mol×K | 806.24 | Joback Calculated Property |
| ΔvapH | 64.90 | kJ/mol | 518.00 | NIST |
Similar Compounds
Find more compounds similar to Disulfide, dihexyl.
Sources
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