- InChI
- InChI=1S/C6H12S3/c1-3-5-7-9-8-6-4-2/h3,5H,4,6H2,1-2H3/b5-3+
- InChI Key
- CKVNYTRYOFXVGM-HWKANZROSA-N
- Formula
- C6H12S3
- SMILES
- CC=CSSSCCC
- Molecular Weight1
- 180.35
- CAS
- 23838-27-9
- 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° | 179.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 75.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.36 | kJ/mol | Joback Calculated Property |
| log10WS | -4.31 | Crippen Calculated Property | |
| logPoct/wat | 3.960 | Crippen Calculated Property | |
| McVol | 140.150 | ml/mol | McGowan Calculated Property |
| Pc | 3497.14 | kPa | Joback Calculated Property |
| Inp | [1310.00; 1356.00] |
|
|
| Inp | 1318.00 | NIST | |
| Inp | 1320.00 | NIST | |
| Inp | 1322.00 | NIST | |
| Inp | 1310.00 | NIST | |
| Inp | 1317.00 | NIST | |
| Inp | 1339.10 | NIST | |
| Inp | 1356.00 | NIST | |
| Inp | 1325.00 | NIST | |
| Inp | 1345.00 | NIST | |
| Inp | 1353.00 | NIST | |
| Inp | 1339.10 | NIST | |
| Inp | 1356.00 | NIST | |
| Inp | 1318.00 | NIST | |
| I | [1743.00; 1781.00] |
|
|
| I | 1770.00 | NIST | |
| I | 1781.00 | NIST | |
| I | 1770.00 | NIST | |
| I | 1781.00 | NIST | |
| I | 1743.00 | NIST | |
| I | 1765.00 | NIST | |
| Tboil | 547.18 | K | Joback Calculated Property |
| Tc | 792.12 | K | Joback Calculated Property |
| Tfus | 255.50 | K | Joback Calculated Property |
| Vc | 0.513 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [282.26; 344.66] | J/mol×K | [547.18; 792.12] |
|
| Cp,gas | 282.26 | J/mol×K | 547.18 | Joback Calculated Property |
| Cp,gas | 294.48 | J/mol×K | 588.00 | Joback Calculated Property |
| Cp,gas | 305.95 | J/mol×K | 628.83 | Joback Calculated Property |
| Cp,gas | 316.70 | J/mol×K | 669.65 | Joback Calculated Property |
| Cp,gas | 326.73 | J/mol×K | 710.47 | Joback Calculated Property |
| Cp,gas | 336.04 | J/mol×K | 751.29 | Joback Calculated Property |
| Cp,gas | 344.66 | J/mol×K | 792.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to propyl 1-propenyl trisulfide.
Sources
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