- InChI
- InChI=1S/C8H18S2/c1-7(2,3)9-10-8(4,5)6/h1-6H3
- InChI Key
- BKCNDTDWDGQHSD-UHFFFAOYSA-N
- Formula
- C8H18S2
- SMILES
- CC(C)(C)SSC(C)(C)C
- Molecular Weight1
- 178.36
- CAS
- 110-06-5
- Other Names
-
- (tert-C4H9S)2
- 2,2,5,5-Tetramethyl-3,4-dithiahexane
- 2-(tert-Butyldisulfanyl)-2-methylpropane
- Bis(1,1-dimethylethyl) disulfide
- Bis(1,1-dimethylethyl) disulphide
- Di-tert-butyl disulphide
- Disulfide, bis(1,1-dimethylethyl)
- t-Butyl disulfide
- tert-Butyl disulfide
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | [-6674.10; -6670.00] | kJ/mol |
|
| ΔcH°liquid | -6670.00 ± 1.30 | kJ/mol | NIST |
| ΔcH°liquid | -6674.10 ± 1.60 | kJ/mol | NIST |
| ΔfH°gas | [-202.00; -199.80] | kJ/mol |
|
| ΔfH°gas | -200.00 | kJ/mol | NIST |
| ΔfH°gas | -199.80 ± 2.30 | kJ/mol | NIST |
| ΔfH°gas | -202.00 ± 2.30 | kJ/mol | NIST |
| ΔfH°liquid | [-253.00; -251.00] | kJ/mol |
|
| ΔfH°liquid | -253.00 ± 1.50 | kJ/mol | NIST |
| ΔfH°liquid | -251.00 ± 1.80 | kJ/mol | NIST |
| ΔfusH° | 9.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [49.00; 54.27] | kJ/mol |
|
| ΔvapH° | 54.27 | kJ/mol | NIST |
| ΔvapH° | 53.80 | kJ/mol | NIST |
| ΔvapH° | 52.50 ± 0.20 | kJ/mol | NIST |
| ΔvapH° | 52.50 | kJ/mol | NIST |
| ΔvapH° | 53.00 ± 2.00 | kJ/mol | NIST |
| ΔvapH° | 53.20 | kJ/mol | NIST |
| ΔvapH° | 53.00 ± 2.00 | kJ/mol | NIST |
| ΔvapH° | Outlier 49.00 | kJ/mol | NIST |
| IE | [8.15; 8.20] | eV |
|
| IE | 8.15 | eV | NIST |
| IE | 8.17 | eV | NIST |
| IE | 8.20 | eV | NIST |
| IE | 8.17 | eV | NIST |
| logPoct/wat | 3.965 | Crippen Calculated Property | |
| McVol | 156.280 | ml/mol | McGowan Calculated Property |
| Inp | [1122.00; 1122.00] |
|
|
| Inp | 1122.00 | NIST | |
| Inp | 1122.00 | NIST | |
| Inp | 1122.00 | NIST | |
| I | [1323.00; 1364.00] |
|
|
| I | 1323.00 | NIST | |
| I | 1331.00 | NIST | |
| I | 1364.00 | NIST | |
| I | 1323.00 | NIST | |
| I | 1323.00 | NIST | |
| Tboil | 473.70 | K | NIST |
| Tc | 664.17 | K | Relay (1.0) Calculated Property |
| Tfus | 293.07 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [347.18; 431.92] | J/mol×K | [513.74; 748.13] |
|
| Cp,gas | 347.18 | J/mol×K | 513.74 | Joback Calculated Property |
| Cp,gas | 364.06 | J/mol×K | 552.80 | Joback Calculated Property |
| Cp,gas | 379.75 | J/mol×K | 591.87 | Joback Calculated Property |
| Cp,gas | 394.32 | J/mol×K | 630.93 | Joback Calculated Property |
| Cp,gas | 407.83 | J/mol×K | 670.00 | Joback Calculated Property |
| Cp,gas | 420.34 | J/mol×K | 709.06 | Joback Calculated Property |
| Cp,gas | 431.92 | J/mol×K | 748.13 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 361.20 | K | 2.80 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [360.40; 541.30] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.32257e+01 | |||
| Coefficient B | -3.68705e+03 | |||
| Coefficient C | -7.54240e+01 | |||
| Temperature range, min. | 360.40 | |||
| Temperature range, max. | 541.30 | |||
| Pvap | 1.33 | kPa | 360.40 | Calculated Property |
| Pvap | 3.13 | kPa | 380.50 | Calculated Property |
| Pvap | 6.60 | kPa | 400.60 | Calculated Property |
| Pvap | 12.77 | kPa | 420.70 | Calculated Property |
| Pvap | 22.98 | kPa | 440.80 | Calculated Property |
| Pvap | 38.89 | kPa | 460.90 | Calculated Property |
| Pvap | 62.48 | kPa | 481.00 | Calculated Property |
| Pvap | 95.97 | kPa | 501.10 | Calculated Property |
| Pvap | 141.83 | kPa | 521.20 | Calculated Property |
| Pvap | 202.65 | kPa | 541.30 | Calculated Property |
Similar Compounds
Find more compounds similar to Di-tert-butyl disulfide.
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
- The Yaws Handbook of Vapor Pressure
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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