- InChI
- InChI=1S/C6H14S2/c1-4-6(2)5-8-7-3/h6H,4-5H2,1-3H3
- InChI Key
- LAWBWIJWSXXIMD-UHFFFAOYSA-N
- Formula
- C6H14S2
- SMILES
- CCC(C)CSSC
- 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).
- 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 | 0.3205 | Relay (1.0) Calculated Property | |
| ΔfG° | 63.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -118.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.044 | Crippen Calculated Property | |
| McVol | 128.100 | ml/mol | McGowan Calculated Property |
| Pc | 3257.86 | kPa | Joback Calculated Property |
| I | [1364.00; 1364.00] |
|
|
| I | 1364.00 | NIST | |
| I | 1364.00 | NIST | |
| Tboil | 455.38 | K | Relay (1.0) Calculated Property |
| Tc | 669.61 | K | Relay (1.0) Calculated Property |
| Tfus | 185.56 | K | Relay (1.0) Calculated Property |
| Vc | 0.443 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [173.46; 382.59] | 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 | 3.49520e+01 | |||
| Coefficient B | 5.68540e-01 | |||
| Coefficient C | -2.25400e-04 | |||
| Coefficient D | 4.50000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 173.46 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 208.08 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 239.82 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 268.70 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 294.72 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 317.91 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 338.28 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 355.84 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 370.61 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 382.59 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to methyl 2-methylbutyl disulfide.
Sources
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