- InChI
- InChI=1S/C4H8S3/c1-3-4-6-7-5-2/h3H,1,4H2,2H3
- InChI Key
- JGMPRNFEEAJLAJ-UHFFFAOYSA-N
- Formula
- C4H8S3
- SMILES
- C=CCSSSC
- Molecular Weight1
- 152.31
- Other Names
-
- 1-Allyl-3-methyltrisulfane
- Allyl methyl trisulfide
- Allyl methyl trisulphide
- Methyl 2-propenyl trisulfide
- Methyl allyl trisulfide
- Methyl allyl trisulphide
- 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.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 83.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.832 | Crippen Calculated Property | |
| McVol | 111.970 | ml/mol | McGowan Calculated Property |
| Inp | [1100.00; 1165.00] |
|
|
| Inp | 1132.00 | NIST | |
| Inp | 1132.00 | NIST | |
| Inp | 1123.00 | NIST | |
| Inp | 1142.00 | NIST | |
| Inp | 1112.00 | NIST | |
| Inp | 1149.00 | NIST | |
| Inp | 1130.00 | NIST | |
| Inp | 1120.00 | NIST | |
| Inp | 1143.80 | NIST | |
| Inp | 1116.00 | NIST | |
| Inp | 1110.00 | NIST | |
| Inp | 1124.00 | NIST | |
| Inp | 1135.00 | NIST | |
| Inp | 1100.00 | NIST | |
| Inp | 1148.00 | NIST | |
| Inp | 1126.00 | NIST | |
| Inp | 1130.00 | NIST | |
| Inp | 1120.00 | NIST | |
| Inp | 1133.00 | NIST | |
| Inp | 1165.00 | NIST | |
| Inp | 1164.00 | NIST | |
| Inp | 1162.00 | NIST | |
| Inp | 1110.00 | NIST | |
| Inp | 1148.00 | NIST | |
| Inp | 1165.00 | NIST | |
| Inp | 1142.00 | NIST | |
| Inp | 1123.00 | NIST | |
| I | [1587.00; 1605.00] |
|
|
| I | 1592.00 | NIST | |
| I | Outlier 1605.00 | NIST | |
| I | 1591.00 | NIST | |
| I | 1588.00 | NIST | |
| I | 1587.00 | NIST | |
| I | 1593.00 | NIST | |
| I | 1593.00 | NIST | |
| I | 1593.00 | NIST | |
| I | 1592.00 | NIST | |
| I | 1593.00 | NIST | |
| Tboil | 474.94 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [142.04; 276.95] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 5.50610e+01 | |||
| Coefficient B | 3.46990e-01 | |||
| Coefficient C | -9.61000e-05 | |||
| Coefficient D | -2.90000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 142.04 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 164.51 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 185.32 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 204.39 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 221.61 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 236.91 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 250.18 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 261.34 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 270.30 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 276.95 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Trisulfide, methyl 2-propenyl.
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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property mean.
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