- InChI
- InChI=1S/C6H10S3/c1-3-5-7-9-8-6-4-2/h3-4H,1-2,5-6H2
- InChI Key
- UBAXRAHSPKWNCX-UHFFFAOYSA-N
- Formula
- C6H10S3
- SMILES
- C=CCSSSCC=C
- Molecular Weight1
- 178.34
- CAS
- 2050-87-5
- Other Names
-
- Allyl trisulfide
- Diallyl trisulfide
- diallyl trisulphide
- 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° | 274.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 209.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.06 | kJ/mol | Joback Calculated Property |
| log10WS | -3.67 | Crippen Calculated Property | |
| logPoct/wat | 3.388 | Crippen Calculated Property | |
| McVol | 135.850 | ml/mol | McGowan Calculated Property |
| Pc | 3633.35 | kPa | Joback Calculated Property |
| Inp | [1266.00; 1322.00] |
|
|
| Inp | 1282.00 | NIST | |
| Inp | 1296.00 | NIST | |
| Inp | 1289.00 | NIST | |
| Inp | 1283.00 | NIST | |
| Inp | 1320.00 | NIST | |
| Inp | 1275.00 | NIST | |
| Inp | 1276.00 | NIST | |
| Inp | 1304.00 | NIST | |
| Inp | 1280.00 | NIST | |
| Inp | 1266.00 | NIST | |
| Inp | 1277.00 | NIST | |
| Inp | 1300.00 | NIST | |
| Inp | 1297.00 | NIST | |
| Inp | 1292.00 | NIST | |
| Inp | 1322.00 | NIST | |
| Inp | 1270.00 | NIST | |
| Inp | 1312.00 | NIST | |
| Inp | 1279.00 | NIST | |
| Inp | 1296.00 | NIST | |
| Inp | 1296.00 | NIST | |
| Inp | 1266.00 | NIST | |
| Inp | 1322.00 | NIST | |
| Inp | 1289.00 | NIST | |
| I | [1775.00; 1822.00] |
|
|
| I | 1819.00 | NIST | |
| I | 1805.00 | NIST | |
| I | 1789.00 | NIST | |
| I | 1775.00 | NIST | |
| I | 1784.00 | NIST | |
| I | 1784.00 | NIST | |
| I | 1806.00 | NIST | |
| I | 1806.00 | NIST | |
| I | 1806.00 | NIST | |
| I | 1787.00 | NIST | |
| I | 1822.00 | NIST | |
| Tboil | 536.38 | K | Joback Calculated Property |
| Tc | 781.01 | K | Joback Calculated Property |
| Tfus | 257.06 | K | Joback Calculated Property |
| Vc | 0.495 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [263.89; 320.87] | J/mol×K | [536.38; 781.01] |
|
| Cp,gas | 263.89 | J/mol×K | 536.38 | Joback Calculated Property |
| Cp,gas | 275.09 | J/mol×K | 577.15 | Joback Calculated Property |
| Cp,gas | 285.60 | J/mol×K | 617.92 | Joback Calculated Property |
| Cp,gas | 295.43 | J/mol×K | 658.70 | Joback Calculated Property |
| Cp,gas | 304.58 | J/mol×K | 699.47 | Joback Calculated Property |
| Cp,gas | 313.06 | J/mol×K | 740.24 | Joback Calculated Property |
| Cp,gas | 320.87 | J/mol×K | 781.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trisulfide, di-2-propenyl.
Sources
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