- InChI
- InChI=1S/C7H16S2/c1-5-6-8-9-7(2,3)4/h5-6H2,1-4H3
- InChI Key
- UCBQXDKQZUDUBM-UHFFFAOYSA-N
- Formula
- C7H16S2
- SMILES
- CCCSSC(C)(C)C
- Molecular Weight1
- 164.33
- 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.
- 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° | 77.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -112.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.51 | kJ/mol | Joback Calculated Property |
| log10WS | -3.62 | Crippen Calculated Property | |
| logPoct/wat | 3.576 | Crippen Calculated Property | |
| McVol | 142.190 | ml/mol | McGowan Calculated Property |
| Pc | 2963.34 | kPa | Joback Calculated Property |
| Inp | 1112.00 | NIST | |
| I | [1371.00; 1371.00] |
|
|
| I | 1371.00 | NIST | |
| I | 1371.00 | NIST | |
| Tboil | 493.89 | K | Joback Calculated Property |
| Tc | 717.04 | K | Joback Calculated Property |
| Tfus | 239.87 | K | Joback Calculated Property |
| Vc | 0.524 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [299.52; 375.22] | J/mol×K | [493.89; 717.04] |
|
| Cp,gas | 299.52 | J/mol×K | 493.89 | Joback Calculated Property |
| Cp,gas | 314.16 | J/mol×K | 531.08 | Joback Calculated Property |
| Cp,gas | 327.96 | J/mol×K | 568.27 | Joback Calculated Property |
| Cp,gas | 340.94 | J/mol×K | 605.47 | Joback Calculated Property |
| Cp,gas | 353.13 | J/mol×K | 642.66 | Joback Calculated Property |
| Cp,gas | 364.54 | J/mol×K | 679.85 | Joback Calculated Property |
| Cp,gas | 375.22 | J/mol×K | 717.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propyl tert-butyl disulfide.
Sources
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