- InChI
- InChI=1S/C6H14S2/c1-6(2,3)5-8-7-4/h5H2,1-4H3
- InChI Key
- UUFBJRBAPHQZBB-UHFFFAOYSA-N
- Formula
- C6H14S2
- SMILES
- CSSCC(C)(C)C
- Molecular Weight1
- 150.31
- ω : Acentric Factor.
- 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 |
|---|---|---|---|
| ω | 0.2945 | Relay (... Calculated Property | |
| ΔfG° | 68.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -114.65 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 12.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.42 | kJ/mol | Relay (... Calculated Property |
| IE | 8.48 | eV | Relay (... Calculated Property |
| log10WS | -3.19 | Relay (... Calculated Property | |
| logPoct/wat | 3.044 | Crippen Calculated Property | |
| McVol | 128.100 | ml/mol | McGowan Calculated Property |
| Pc | 3299.15 | kPa | Joback Calculated Property |
| Inp | [1072.00; 1072.00] |
|
|
| Inp | 1072.00 | NIST | |
| Inp | 1072.00 | NIST | |
| I | [1268.00; 1268.00] |
|
|
| I | 1268.00 | NIST | |
| I | 1268.00 | NIST | |
| Tboil | 442.70 | K | Relay (... Calculated Property |
| Tc | 645.56 | K | Relay (... Calculated Property |
| Tfus | 229.62 | K | Relay (... Calculated Property |
| Vc | 0.439 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [257.06; 326.87] | J/mol×K | [471.01; 697.89] |
|
| Cp,gas | 257.06 | J/mol×K | 471.01 | Joback Calculated Property |
| Cp,gas | 270.59 | J/mol×K | 508.82 | Joback Calculated Property |
| Cp,gas | 283.33 | J/mol×K | 546.64 | Joback Calculated Property |
| Cp,gas | 295.30 | J/mol×K | 584.45 | Joback Calculated Property |
| Cp,gas | 306.53 | J/mol×K | 622.27 | Joback Calculated Property |
| Cp,gas | 317.05 | J/mol×K | 660.08 | Joback Calculated Property |
| Cp,gas | 326.87 | J/mol×K | 697.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl neopentyl disulfide.
Sources
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