- InChI
- InChI=1S/C6H12S2/c1-4-5-8-6(2)7-3/h4,6H,1,5H2,2-3H3
- InChI Key
- HZLVRNMVTBTNMN-UHFFFAOYSA-N
- Formula
- C6H12S2
- SMILES
- C=CCSC(C)SC
- Molecular Weight1
- 148.29
- 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° | 151.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 36.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.53 | kJ/mol | Joback Calculated Property |
| log10WS | -2.56 | Crippen Calculated Property | |
| logPoct/wat | 2.615 | Crippen Calculated Property | |
| McVol | 123.800 | ml/mol | McGowan Calculated Property |
| Pc | 3419.86 | kPa | Joback Calculated Property |
| Inp | [1090.00; 1090.00] |
|
|
| Inp | 1090.00 | NIST | |
| Inp | 1090.00 | NIST | |
| Tboil | 470.48 | K | Joback Calculated Property |
| Tc | 692.73 | K | Joback Calculated Property |
| Tfus | 209.42 | K | Joback Calculated Property |
| Vc | 0.455 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [237.35; 300.07] | J/mol×K | [470.48; 692.73] |
|
| Cp,gas | 237.35 | J/mol×K | 470.48 | Joback Calculated Property |
| Cp,gas | 249.25 | J/mol×K | 507.52 | Joback Calculated Property |
| Cp,gas | 260.57 | J/mol×K | 544.56 | Joback Calculated Property |
| Cp,gas | 271.30 | J/mol×K | 581.61 | Joback Calculated Property |
| Cp,gas | 281.46 | J/mol×K | 618.65 | Joback Calculated Property |
| Cp,gas | 291.04 | J/mol×K | 655.69 | Joback Calculated Property |
| Cp,gas | 300.07 | J/mol×K | 692.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-methyl-2,4-dithia-6-heptene.
Sources
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