- InChI
- InChI=1S/C6H12S2/c1-3-5-7-8-6-4-2/h3,5H,4,6H2,1-2H3/b5-3+
- InChI Key
- AAPBYIVJOWCMGH-HWKANZROSA-N
- Formula
- C6H12S2
- SMILES
- CC=CSSCCC
- Molecular Weight1
- 148.29
- CAS
- 23838-21-3
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -34.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.94 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.311 | Crippen Calculated Property | |
| McVol | 123.800 | ml/mol | McGowan Calculated Property |
| Inp | [1117.60; 1117.60] |
|
|
| Inp | 1117.60 | NIST | |
| Inp | 1117.60 | NIST | |
| Tboil | 458.81 | K | Relay (1.0) Calculated Property |
| Tfus | 196.84 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [236.88; 298.61] | J/mol×K | [478.40; 701.27] |
|
| Cp,gas | 236.88 | J/mol×K | 478.40 | Joback Calculated Property |
| Cp,gas | 248.67 | J/mol×K | 515.55 | Joback Calculated Property |
| Cp,gas | 259.83 | J/mol×K | 552.69 | Joback Calculated Property |
| Cp,gas | 270.40 | J/mol×K | 589.84 | Joback Calculated Property |
| Cp,gas | 280.37 | J/mol×K | 626.98 | Joback Calculated Property |
| Cp,gas | 289.77 | J/mol×K | 664.13 | Joback Calculated Property |
| Cp,gas | 298.61 | J/mol×K | 701.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-1-(Prop-1-en-1-yl)-2-propyldisulfane.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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