- InChI
- InChI=1S/C4H8S2/c1-3-4-6-5-2/h3-4H,1-2H3/b4-3+
- InChI Key
- FUDUFCLRGSEHAJ-ONEGZZNKSA-N
- Formula
- C4H8S2
- SMILES
- CC=CSSC
- Molecular Weight1
- 120.24
- Other Names
-
- (E)-1-propenyl methyl disulfide
- (E)-propenyl methyl disulfide
- trans-1-propenyl methyl disulfide
- methyl (E)-propenyl disulfide
- (E)-propenyl methyl disulphide
- Disulfide, methyl 1-propenyl, E
- Methyl 1-propenyl disulphide, trans
- 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° | 129.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 75.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.09 | kJ/mol | Joback Calculated Property |
| log10WS | -2.60 | Crippen Calculated Property | |
| logPoct/wat | 2.531 | Crippen Calculated Property | |
| McVol | 95.620 | ml/mol | McGowan Calculated Property |
| Pc | 4351.13 | kPa | Joback Calculated Property |
| Inp | [915.50; 946.00] |
|
|
| Inp | 915.50 | NIST | |
| Inp | 918.00 | NIST | |
| Inp | 922.00 | NIST | |
| Inp | 919.00 | NIST | |
| Inp | 922.00 | NIST | |
| Inp | Outlier 946.00 | NIST | |
| Inp | 915.50 | NIST | |
| I | [1270.00; 1297.00] |
|
|
| I | 1292.00 | NIST | |
| I | 1287.00 | NIST | |
| I | 1290.00 | NIST | |
| I | 1289.00 | NIST | |
| I | 1270.00 | NIST | |
| I | 1270.00 | NIST | |
| I | 1297.00 | NIST | |
| I | 1297.00 | NIST | |
| I | 1285.00 | NIST | |
| Tboil | 432.64 | K | Joback Calculated Property |
| Tc | 662.52 | K | Joback Calculated Property |
| Tfus | 198.56 | K | Joback Calculated Property |
| Vc | 0.347 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [159.54; 206.15] | J/mol×K | [432.64; 662.52] |
|
| Cp,gas | 159.54 | J/mol×K | 432.64 | Joback Calculated Property |
| Cp,gas | 168.42 | J/mol×K | 470.95 | Joback Calculated Property |
| Cp,gas | 176.85 | J/mol×K | 509.27 | Joback Calculated Property |
| Cp,gas | 184.83 | J/mol×K | 547.58 | Joback Calculated Property |
| Cp,gas | 192.36 | J/mol×K | 585.89 | Joback Calculated Property |
| Cp,gas | 199.47 | J/mol×K | 624.20 | Joback Calculated Property |
| Cp,gas | 206.15 | J/mol×K | 662.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Disulfide, methyl 1-propenyl, trans.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.