- InChI
- InChI=1S/C8H16S2/c1-4-6-7-9-10-8(3)5-2/h6-8H,4-5H2,1-3H3/b7-6+
- InChI Key
- FRHITHLONVCSDB-VOTSOKGWSA-N
- Formula
- C8H16S2
- SMILES
- CCC=CSSC(C)CC
- Molecular Weight1
- 176.34
- CAS
- 110690-22-7
- 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° | 160.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -12.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.61 | kJ/mol | Joback Calculated Property |
| log10WS | -4.39 | Crippen Calculated Property | |
| logPoct/wat | 4.090 | Crippen Calculated Property | |
| McVol | 151.980 | ml/mol | McGowan Calculated Property |
| Pc | 2793.56 | kPa | Joback Calculated Property |
| Inp | [1269.30; 1269.30] |
|
|
| Inp | 1269.30 | NIST | |
| Inp | 1269.30 | NIST | |
| Tboil | 523.72 | K | Joback Calculated Property |
| Tc | 744.30 | K | Joback Calculated Property |
| Tfus | 228.64 | K | Joback Calculated Property |
| Vc | 0.566 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [322.91; 398.07] | J/mol×K | [523.72; 744.30] |
|
| Cp,gas | 322.91 | J/mol×K | 523.72 | Joback Calculated Property |
| Cp,gas | 337.33 | J/mol×K | 560.48 | Joback Calculated Property |
| Cp,gas | 350.96 | J/mol×K | 597.25 | Joback Calculated Property |
| Cp,gas | 363.82 | J/mol×K | 634.01 | Joback Calculated Property |
| Cp,gas | 375.95 | J/mol×K | 670.77 | Joback Calculated Property |
| Cp,gas | 387.36 | J/mol×K | 707.54 | Joback Calculated Property |
| Cp,gas | 398.07 | J/mol×K | 744.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-1-(But-1-en-1-yl)-2-(sec-butyl)disulfane.
Sources
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