![1-Propene, 3-[(1-methylethyl)thio]-](/cid/27-135-2/1-Propene-3-1-methylethyl-thio.png "1-Propene, 3-[(1-methylethyl)thio]-")
- InChI
- InChI=1S/C6H12S/c1-4-5-7-6(2)3/h4,6H,1,5H2,2-3H3
- InChI Key
- OJBPXSILEFOOQD-UHFFFAOYSA-N
- Formula
- C6H12S
- SMILES
- C=CCSC(C)C
- Molecular Weight1
- 116.22
- CAS
- 50996-72-0
- Other Names
-
- Allyl isopropyl sulfide
- 5-Methyl-4-thia-1-hexene
- 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 | -24.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.38 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.314 | Crippen Calculated Property | |
| McVol | 107.450 | ml/mol | McGowan Calculated Property |
| Inp | [822.00; 822.00] |
|
|
| Inp | 822.00 | NIST | |
| Inp | 822.00 | NIST | |
| Inp | 822.00 | NIST | |
| Tboil | 399.64 | K | Relay (1.0) Calculated Property |
| Tfus | 154.67 | 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 | [191.61; 251.51] | J/mol×K | [401.70; 599.38] |
|
| Cp,gas | 191.61 | J/mol×K | 401.70 | Joback Calculated Property |
| Cp,gas | 202.77 | J/mol×K | 434.65 | Joback Calculated Property |
| Cp,gas | 213.45 | J/mol×K | 467.59 | Joback Calculated Property |
| Cp,gas | 223.65 | J/mol×K | 500.54 | Joback Calculated Property |
| Cp,gas | 233.39 | J/mol×K | 533.49 | Joback Calculated Property |
| Cp,gas | 242.67 | J/mol×K | 566.43 | Joback Calculated Property |
| Cp,gas | 251.51 | J/mol×K | 599.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propene, 3-[(1-methylethyl)thio]-.
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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