- InChI
- InChI=1S/C5H12S3/c1-3-4-5-7-8-6-2/h3-5H2,1-2H3
- InChI Key
- UERQNAZBAUOZKO-UHFFFAOYSA-N
- Formula
- C5H12S3
- SMILES
- CCCCSSSC
- Molecular Weight1
- 168.34
- 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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -49.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.47 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.446 | Crippen Calculated Property | |
| McVol | 130.360 | ml/mol | McGowan Calculated Property |
| Inp | [1241.00; 1241.00] |
|
|
| Inp | 1241.00 | NIST | |
| Inp | 1241.00 | NIST | |
| Tboil | 498.92 | K | Relay (1.0) Calculated Property |
| Tfus | 234.14 | 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 | [258.08; 319.09] | J/mol×K | [520.14; 758.40] |
|
| Cp,gas | 258.08 | J/mol×K | 520.14 | Joback Calculated Property |
| Cp,gas | 269.75 | J/mol×K | 559.85 | Joback Calculated Property |
| Cp,gas | 280.84 | J/mol×K | 599.56 | Joback Calculated Property |
| Cp,gas | 291.33 | J/mol×K | 639.27 | Joback Calculated Property |
| Cp,gas | 301.21 | J/mol×K | 678.98 | Joback Calculated Property |
| Cp,gas | 310.47 | J/mol×K | 718.69 | Joback Calculated Property |
| Cp,gas | 319.09 | J/mol×K | 758.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to butyl methyl trisulfide.
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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