- InChI
- InChI=1S/C8H16S/c1-5-6-9-8(4)7(2)3/h5,7-8H,1,6H2,2-4H3
- InChI Key
- AVHRBMFFYICAIH-UHFFFAOYSA-N
- Formula
- C8H16S
- SMILES
- C=CCSC(C)C(C)C
- Molecular Weight1
- 144.28
- Other Names
-
- Allyl (1,2-dimethylpropyl) sulfide
- 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° | 132.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -51.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.77 | kJ/mol | Joback Calculated Property |
| log10WS | -2.78 | Crippen Calculated Property | |
| logPoct/wat | 2.950 | Crippen Calculated Property | |
| McVol | 135.630 | ml/mol | McGowan Calculated Property |
| Pc | 2738.28 | kPa | Joback Calculated Property |
| Inp | [997.00; 997.00] |
|
|
| Inp | 997.00 | NIST | |
| Inp | 997.00 | NIST | |
| Tboil | 447.02 | K | Joback Calculated Property |
| Tc | 645.40 | K | Joback Calculated Property |
| Tfus | 182.56 | K | Joback Calculated Property |
| Vc | 0.506 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [270.62; 345.69] | J/mol×K | [447.02; 645.40] |
|
| Cp,gas | 270.62 | J/mol×K | 447.02 | Joback Calculated Property |
| Cp,gas | 284.70 | J/mol×K | 480.08 | Joback Calculated Property |
| Cp,gas | 298.12 | J/mol×K | 513.15 | Joback Calculated Property |
| Cp,gas | 310.92 | J/mol×K | 546.21 | Joback Calculated Property |
| Cp,gas | 323.11 | J/mol×K | 579.28 | Joback Calculated Property |
| Cp,gas | 334.69 | J/mol×K | 612.34 | Joback Calculated Property |
| Cp,gas | 345.69 | J/mol×K | 645.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5,6-dimethyl-4-thia-1-heptene.
Sources
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