- InChI
- InChI=1S/C6H12S2/c1-3-5-7-8-6-4-2/h3H,1,4-6H2,2H3
- InChI Key
- FCSSPCOFDUKHPV-UHFFFAOYSA-N
- Formula
- C6H12S2
- SMILES
- C=CCSSCCC
- Molecular Weight1
- 148.29
- CAS
- 2179-59-1
- Other Names
-
- Allyl propyl disulfide
- 4,5-dithia-1-octene
- 2-propenyl propyl disulfide
- Propyl 2-propenyl disulfide
- Allyl propyl disulphide
- 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° | 153.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 42.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.91 | kJ/mol | Joback Calculated Property |
| log10WS | -2.95 | Crippen Calculated Property | |
| logPoct/wat | 2.964 | Crippen Calculated Property | |
| McVol | 123.800 | ml/mol | McGowan Calculated Property |
| Pc | 3388.08 | kPa | Joback Calculated Property |
| Inp | [1045.00; 1098.00] |
|
|
| Inp | 1088.00 | NIST | |
| Inp | 1098.00 | NIST | |
| Inp | 1048.00 | NIST | |
| Inp | 1077.00 | NIST | |
| Inp | 1045.00 | NIST | |
| Inp | 1058.00 | NIST | |
| Inp | 1072.00 | NIST | |
| Inp | 1077.00 | NIST | |
| Inp | 1045.00 | NIST | |
| Inp | 1072.00 | NIST | |
| Inp | 1077.00 | NIST | |
| I | [1386.00; 1474.00] |
|
|
| I | 1436.00 | NIST | |
| I | 1410.00 | NIST | |
| I | Outlier 1474.00 | NIST | |
| I | 1430.00 | NIST | |
| I | 1428.00 | NIST | |
| I | 1428.00 | NIST | |
| I | 1428.00 | NIST | |
| I | Outlier 1386.00 | NIST | |
| I | 1432.00 | NIST | |
| I | 1432.00 | NIST | |
| I | 1436.00 | NIST | |
| I | 1428.00 | NIST | |
| Tboil | 470.92 | K | Joback Calculated Property |
| Tc | 687.95 | K | Joback Calculated Property |
| Tfus | 224.42 | K | Joback Calculated Property |
| Vc | 0.461 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [237.15; 298.22] | J/mol×K | [470.92; 687.95] |
|
| Cp,gas | 237.15 | J/mol×K | 470.92 | Joback Calculated Property |
| Cp,gas | 248.69 | J/mol×K | 507.09 | Joback Calculated Property |
| Cp,gas | 259.67 | J/mol×K | 543.26 | Joback Calculated Property |
| Cp,gas | 270.11 | J/mol×K | 579.43 | Joback Calculated Property |
| Cp,gas | 280.01 | J/mol×K | 615.61 | Joback Calculated Property |
| Cp,gas | 289.38 | J/mol×K | 651.78 | Joback Calculated Property |
| Cp,gas | 298.22 | J/mol×K | 687.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to propyl allyl disulfide.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.