- InChI
- InChI=1S/C7H14S4/c1-4-6-9-11-10-7(5-2)8-3/h4,6-7H,5H2,1-3H3/b6-4+
- InChI Key
- RQJHRMSZZCHSHY-GQCTYLIASA-N
- Formula
- C7H14S4
- SMILES
- CC=CSSSC(CC)SC
- Molecular Weight1
- 226.45
- 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° | 218.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 91.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.01 | kJ/mol | Joback Calculated Property |
| log10WS | -5.22 | Crippen Calculated Property | |
| logPoct/wat | 4.649 | Crippen Calculated Property | |
| McVol | 170.590 | ml/mol | McGowan Calculated Property |
| Pc | 3220.98 | kPa | Joback Calculated Property |
| Inp | 1407.00 | NIST | |
| Tboil | 638.40 | K | Joback Calculated Property |
| Tc | 903.08 | K | Joback Calculated Property |
| Tfus | 286.17 | K | Joback Calculated Property |
| Vc | 0.618 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [375.09; 441.59] | J/mol×K | [638.40; 903.08] | 
|
| Cp,gas | 375.09 | J/mol×K | 638.40 | Joback Calculated Property |
| Cp,gas | 388.74 | J/mol×K | 682.51 | Joback Calculated Property |
| Cp,gas | 401.36 | J/mol×K | 726.63 | Joback Calculated Property |
| Cp,gas | 412.95 | J/mol×K | 770.74 | Joback Calculated Property |
| Cp,gas | 423.52 | J/mol×K | 814.85 | Joback Calculated Property |
| Cp,gas | 433.06 | J/mol×K | 858.97 | Joback Calculated Property |
| Cp,gas | 441.59 | J/mol×K | 903.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-(methylthio)propyl 1-propenyl disulfide.
Sources
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