- InChI
- InChI=1S/C6H12S3/c1-3-5-7-9-8-6-4-2/h3H,1,4-6H2,2H3
- InChI Key
- IXJMGVJLUBBAQW-UHFFFAOYSA-N
- Formula
- C6H12S3
- SMILES
- C=CCSSSCCC
- Molecular Weight1
- 180.35
- CAS
- 33922-73-5
- 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.
- I : 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° | 186.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 83.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.73 | kJ/mol | Joback Calculated Property |
| log10WS | -3.82 | Crippen Calculated Property | |
| logPoct/wat | 3.612 | Crippen Calculated Property | |
| McVol | 140.150 | ml/mol | McGowan Calculated Property |
| Pc | 3456.14 | kPa | Joback Calculated Property |
| Inp | [1270.00; 1320.60] |
|
|
| Inp | 1297.00 | NIST | |
| Inp | 1290.00 | NIST | |
| Inp | 1320.60 | NIST | |
| Inp | 1307.00 | NIST | |
| Inp | 1270.00 | NIST | |
| Inp | 1290.00 | NIST | |
| Inp | 1290.00 | NIST | |
| Inp | 1307.00 | NIST | |
| Inp | 1320.60 | NIST | |
| Inp | 1297.00 | NIST | |
| I | [1723.00; 1797.00] |
|
|
| I | 1797.00 | NIST | |
| I | 1723.00 | NIST | |
| I | 1797.00 | NIST | |
| Tboil | 539.70 | K | Joback Calculated Property |
| Tc | 778.74 | K | Joback Calculated Property |
| Tfus | 258.82 | K | Joback Calculated Property |
| Vc | 0.514 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [282.56; 344.70] | J/mol×K | [539.70; 778.74] |
|
| Cp,gas | 282.56 | J/mol×K | 539.70 | Joback Calculated Property |
| Cp,gas | 294.62 | J/mol×K | 579.54 | Joback Calculated Property |
| Cp,gas | 306.00 | J/mol×K | 619.38 | Joback Calculated Property |
| Cp,gas | 316.70 | J/mol×K | 659.22 | Joback Calculated Property |
| Cp,gas | 326.72 | J/mol×K | 699.06 | Joback Calculated Property |
| Cp,gas | 336.06 | J/mol×K | 738.90 | Joback Calculated Property |
| Cp,gas | 344.70 | J/mol×K | 778.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propyl 2-propenyl trisulfide.
Sources
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