- InChI
- InChI=1S/C8H18S2/c1-7(2)5-9-10-6-8(3)4/h7-8H,5-6H2,1-4H3
- InChI Key
- ONJROLGQWMBXAP-UHFFFAOYSA-N
- Formula
- C8H18S2
- SMILES
- CC(C)CSSCC(C)C
- Molecular Weight1
- 178.36
- CAS
- 1518-72-5
- Other Names
-
- Isobutyl disulfide
- Diisobutyl disulfide
- Bis(2-methylpropyl) disulphide
- 2,7-Dimethyl-4,5-dithiaoctane
- Di(2-methylpropyl) disulfide
- diisobutyl disulphide
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -6692.40 ± 1.20 | kJ/mol | NIST |
| ΔfH°gas | -170.90 ± 2.20 | kJ/mol | NIST |
| ΔfH°liquid | -232.80 ± 1.40 | kJ/mol | NIST |
| ΔfusH° | 17.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [57.20; 62.00] | kJ/mol |
|
| ΔvapH° | 57.20 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 57.20 | kJ/mol | NIST |
| ΔvapH° | 62.00 ± 2.00 | kJ/mol | NIST |
| ΔvapH° | 61.90 | kJ/mol | NIST |
| IE | 8.38 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.680 | Crippen Calculated Property | |
| McVol | 156.280 | ml/mol | McGowan Calculated Property |
| Inp | [1178.00; 1208.00] |
|
|
| Inp | 1208.00 | NIST | |
| Inp | 1178.00 | NIST | |
| Inp | 1182.00 | NIST | |
| Inp | 1205.00 | NIST | |
| Inp | 1208.00 | NIST | |
| Inp | 1205.00 | NIST | |
| I | [1428.00; 1435.00] |
|
|
| I | 1435.00 | NIST | |
| I | 1428.00 | NIST | |
| I | 1435.00 | NIST | |
| Tboil | 493.00 ± 15.00 | K | NIST |
| Tfus | 209.95 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [341.35; 422.02] | J/mol×K | [519.32; 734.77] |
|
| Cp,gas | 341.35 | J/mol×K | 519.32 | Joback Calculated Property |
| Cp,gas | 356.65 | J/mol×K | 555.23 | Joback Calculated Property |
| Cp,gas | 371.19 | J/mol×K | 591.14 | Joback Calculated Property |
| Cp,gas | 385.00 | J/mol×K | 627.04 | Joback Calculated Property |
| Cp,gas | 398.06 | J/mol×K | 662.95 | Joback Calculated Property |
| Cp,gas | 410.40 | J/mol×K | 698.86 | Joback Calculated Property |
| Cp,gas | 422.02 | J/mol×K | 734.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Disulfide, bis(2-methylpropyl).
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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