- InChI
- InChI=1S/C6H14S3/c1-5(2)6(7-3)9-8-4/h5-6H,1-4H3
- InChI Key
- XZMIKYIHVMVWFE-UHFFFAOYSA-N
- Formula
- C6H14S3
- SMILES
- CSSC(SC)C(C)C
- Molecular Weight1
- 182.37
- CAS
- 69078-81-5
- Other Names
-
- 3-Isopropyl-2,4,5-trithiahexane
- 2,4,5-Trithiahexane, 3-(1-methylethyl), #1
- 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).
- Inp : Non-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° | 94.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -52.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.62 | kJ/mol | Joback Calculated Property |
| log10WS | -3.34 | Crippen Calculated Property | |
| logPoct/wat | 3.343 | Crippen Calculated Property | |
| McVol | 144.450 | ml/mol | McGowan Calculated Property |
| Pc | 3352.86 | kPa | Joback Calculated Property |
| Inp | [1300.00; 1300.00] |
|
|
| Inp | 1300.00 | NIST | |
| Inp | 1300.00 | NIST | |
| Tboil | 542.14 | K | Joback Calculated Property |
| Tc | 786.93 | K | Joback Calculated Property |
| Tfus | 230.58 | K | Joback Calculated Property |
| Vc | 0.521 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [302.13; 372.35] | J/mol×K | [542.14; 786.93] |
|
| Cp,gas | 302.13 | J/mol×K | 542.14 | Joback Calculated Property |
| Cp,gas | 315.78 | J/mol×K | 582.94 | Joback Calculated Property |
| Cp,gas | 328.66 | J/mol×K | 623.74 | Joback Calculated Property |
| Cp,gas | 340.77 | J/mol×K | 664.54 | Joback Calculated Property |
| Cp,gas | 352.09 | J/mol×K | 705.33 | Joback Calculated Property |
| Cp,gas | 362.62 | J/mol×K | 746.13 | Joback Calculated Property |
| Cp,gas | 372.35 | J/mol×K | 786.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Disulfide, methyl 2-methyl-1-(methylthio)propyl.
Sources
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