- InChI
- InChI=1S/C6H12S3/c1-4-5-8-9-6(2)7-3/h4,6H,1,5H2,2-3H3
- InChI Key
- JLUAARRGSDKZGD-UHFFFAOYSA-N
- Formula
- C6H12S3
- SMILES
- C=CCSSC(C)SC
- Molecular Weight1
- 180.35
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.2551 | Relay (1.0) Calculated Property | |
| ΔfG° | 184.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 17.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.263 | Crippen Calculated Property | |
| McVol | 140.150 | ml/mol | McGowan Calculated Property |
| Pc | 3488.88 | kPa | Joback Calculated Property |
| Inp | [1293.00; 1293.00] |
|
|
| Inp | 1293.00 | NIST | |
| Inp | 1293.00 | NIST | |
| Tboil | 503.41 | K | Relay (1.0) Calculated Property |
| Tc | 713.94 | K | Relay (1.0) Calculated Property |
| Tfus | 206.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.451 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [282.92; 346.54] | J/mol×K | [539.26; 783.98] |
|
| Cp,gas | 282.92 | J/mol×K | 539.26 | Joback Calculated Property |
| Cp,gas | 295.35 | J/mol×K | 580.05 | Joback Calculated Property |
| Cp,gas | 307.04 | J/mol×K | 620.83 | Joback Calculated Property |
| Cp,gas | 318.02 | J/mol×K | 661.62 | Joback Calculated Property |
| Cp,gas | 328.26 | J/mol×K | 702.40 | Joback Calculated Property |
| Cp,gas | 337.77 | J/mol×K | 743.19 | Joback Calculated Property |
| Cp,gas | 346.54 | J/mol×K | 783.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Allyl 1-(methylthio)ethyl disulphide.
Sources
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