- 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
- Other Names
-
- Hexyl disulfide
- Dihexyl disulfide
- di-n-Hexyl disulfide
- n-Hexyl disulfide
- dihexyl disulphide
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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 |
|---|---|---|---|
| ω | 0.6005 | Relay (1.0) Calculated Property | |
| ΔfG° | 116.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -244.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.04 | Relay (1.0) 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 | 566.73 | K | Relay (1.0) Calculated Property |
| Tc | 745.15 | K | Relay (1.0) Calculated Property |
| Tfus | 252.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.809 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 64.90 | kJ/mol | 518.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [301.05; 691.60] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 3.11800e+01 | |||
| Coefficient B | 1.13262e+00 | |||
| Coefficient C | -5.48600e-04 | |||
| Coefficient D | 7.64000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 301.05 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 366.60 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 426.04 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 479.62 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 527.59 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 570.18 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 607.63 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 640.19 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 668.10 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 691.60 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Disulfide, dihexyl.
Sources
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