- InChI
- InChI=1S/C10H14OS2/c1-3-6-12-8-5-10(9-11)13-7-4-2/h3-5,9H,1-2,6-8H2/b10-5-
- InChI Key
- LXRCGXLXWZDREG-YHYXMXQVSA-N
- Formula
- C10H14OS2
- SMILES
- C=CCSCC=C(C=O)SCC=C
- Molecular Weight1
- 214.35
- 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).
- 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° | 247.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 106.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.91 | kJ/mol | Joback Calculated Property |
| log10WS | -3.11 | Crippen Calculated Property | |
| logPoct/wat | 2.908 | Crippen Calculated Property | |
| McVol | 173.130 | ml/mol | McGowan Calculated Property |
| Pc | 2687.42 | kPa | Joback Calculated Property |
| I | 2692.00 | NIST | |
| Tboil | 611.82 | K | Joback Calculated Property |
| Tc | 835.74 | K | Joback Calculated Property |
| Tfus | 290.70 | K | Joback Calculated Property |
| Vc | 0.663 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [392.76; 458.28] | J/mol×K | [611.82; 835.74] | 
|
| Cp,gas | 392.76 | J/mol×K | 611.82 | Joback Calculated Property |
| Cp,gas | 405.64 | J/mol×K | 649.14 | Joback Calculated Property |
| Cp,gas | 417.69 | J/mol×K | 686.46 | Joback Calculated Property |
| Cp,gas | 428.93 | J/mol×K | 723.78 | Joback Calculated Property |
| Cp,gas | 439.42 | J/mol×K | 761.10 | Joback Calculated Property |
| Cp,gas | 449.19 | J/mol×K | 798.42 | Joback Calculated Property |
| Cp,gas | 458.28 | J/mol×K | 835.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Bis(allylthio)but-2-enal.
Sources
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