- InChI
- InChI=1S/C10H22S2/c1-9(2)5-7-11-12-8-6-10(3)4/h9-10H,5-8H2,1-4H3
- InChI Key
- MPYGLNNTOXLWOB-UHFFFAOYSA-N
- Formula
- C10H22S2
- SMILES
- CC(C)CCSSCCC(C)C
- Molecular Weight1
- 206.41
- CAS
- 2051-04-9
- Other Names
-
- 2,9-Dimethyl-5,6-dithiadecane
- 5,6-Dithia-2,9-dimethyldecane
- Bis(3-methyl-1-butyl) disulfide
- Bis(3-methylbutyl) disulfide
- Diisoamyl disulfide
- Diisopentyl disulfide
- Diisopentyl disulphide
- Isoamyl disulfide
- Isopentyl 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- 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° | 94.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -176.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.71 | kJ/mol | Joback Calculated Property |
| log10WS | -4.28 | Crippen Calculated Property | |
| logPoct/wat | 4.460 | Crippen Calculated Property | |
| McVol | 184.460 | ml/mol | McGowan Calculated Property |
| Pc | 2208.29 | kPa | Joback Calculated Property |
| Inp | [1409.00; 1409.00] |
|
|
| Inp | 1409.00 | NIST | |
| Inp | 1409.00 | NIST | |
| I | 1669.00 | NIST | |
| Tboil | 523.20 | K | NIST |
| Tc | 773.35 | K | Joback Calculated Property |
| Tfus | 241.26 | K | Joback Calculated Property |
| Vc | 0.692 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [435.71; 524.77] | J/mol×K | [564.88; 773.35] |
|
| Cp,gas | 435.71 | J/mol×K | 564.88 | Joback Calculated Property |
| Cp,gas | 452.65 | J/mol×K | 599.63 | Joback Calculated Property |
| Cp,gas | 468.73 | J/mol×K | 634.37 | Joback Calculated Property |
| Cp,gas | 483.97 | J/mol×K | 669.12 | Joback Calculated Property |
| Cp,gas | 498.38 | J/mol×K | 703.86 | Joback Calculated Property |
| Cp,gas | 511.98 | J/mol×K | 738.61 | Joback Calculated Property |
| Cp,gas | 524.77 | J/mol×K | 773.35 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [391.62; 555.55] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.46855e+01 | |||
| Coefficient B | -4.40385e+03 | |||
| Coefficient C | -8.57520e+01 | |||
| Temperature range, min. | 391.62 | |||
| Temperature range, max. | 555.55 | |||
| Pvap | 1.33 | kPa | 391.62 | Calculated Property |
| Pvap | 2.99 | kPa | 409.83 | Calculated Property |
| Pvap | 6.17 | kPa | 428.05 | Calculated Property |
| Pvap | 11.82 | kPa | 446.26 | Calculated Property |
| Pvap | 21.27 | kPa | 464.48 | Calculated Property |
| Pvap | 36.27 | kPa | 482.69 | Calculated Property |
| Pvap | 59.01 | kPa | 500.91 | Calculated Property |
| Pvap | 92.17 | kPa | 519.12 | Calculated Property |
| Pvap | 138.86 | kPa | 537.34 | Calculated Property |
| Pvap | 202.66 | kPa | 555.55 | Calculated Property |
Similar Compounds
Find more compounds similar to Disulfide, bis(3-methylbutyl).
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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