- InChI
- InChI=1S/C5H12S2/c1-5(2,3)7-6-4/h1-4H3
- InChI Key
- JEGYOGCWPYGLIB-UHFFFAOYSA-N
- Formula
- C5H12S2
- SMILES
- CSSC(C)(C)C
- Molecular Weight1
- 136.28
- CAS
- 35166-82-6
- Other Names
-
- Methyl tert-butyl disulphide
- Disulfide, tert-butyl methyl
- Methyl tert-butyl disulfide
- 2-Methyl-2-propyl methyl disulfide
- Disulfide, 1,1-dimethylethyl methyl
- 2,2-Dimethyl-3,4-dithiapentane
- Methyl t-butyl 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).
- 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).
- 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° | 60.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -112.00 | kJ/mol | NIST |
| ΔfusH° | 9.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.06 | kJ/mol | Joback Calculated Property |
| IE | 8.40 ± 0.80 | eV | NIST |
| log10WS | -2.79 | Crippen Calculated Property | |
| logPoct/wat | 2.796 | Crippen Calculated Property | |
| McVol | 114.010 | ml/mol | McGowan Calculated Property |
| Pc | 3695.46 | kPa | Joback Calculated Property |
| Inp | [950.00; 950.00] |
|
|
| Inp | 950.00 | NIST | |
| Inp | 950.00 | NIST | |
| Inp | 950.00 | NIST | |
| I | [1238.00; 1238.00] |
|
|
| I | 1238.00 | NIST | |
| I | 1238.00 | NIST | |
| Tboil | 448.13 | K | Joback Calculated Property |
| Tc | 678.67 | K | Joback Calculated Property |
| Tfus | 217.33 | K | Joback Calculated Property |
| Vc | 0.412 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [216.67; 279.73] | J/mol×K | [448.13; 678.67] |
|
| Cp,gas | 216.67 | J/mol×K | 448.13 | Joback Calculated Property |
| Cp,gas | 228.91 | J/mol×K | 486.55 | Joback Calculated Property |
| Cp,gas | 240.43 | J/mol×K | 524.98 | Joback Calculated Property |
| Cp,gas | 251.25 | J/mol×K | 563.40 | Joback Calculated Property |
| Cp,gas | 261.40 | J/mol×K | 601.82 | Joback Calculated Property |
| Cp,gas | 270.88 | J/mol×K | 640.25 | Joback Calculated Property |
| Cp,gas | 279.73 | J/mol×K | 678.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to tert-Butyl Methyl disulfide.
Sources
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