- InChI
- InChI=1S/C6H12S2/c1-3-5-7-8-6-4-2/h3,5H,4,6H2,1-2H3/b5-3+
- InChI Key
- AAPBYIVJOWCMGH-HWKANZROSA-N
- Formula
- C6H12S2
- SMILES
- CC=CSSCCC
- Molecular Weight1
- 148.29
- Other Names
-
- (E)-1-propenyl propyl disulfide
- (E)-propenyl propyl disulfide
- propyl (E)-propenyl disulfide
- Propyl 1-propenyl disulphide, trans
- (E)-propenyl propyl disulphide
- (E) n-Propyl 1-propenyl disulfide
- Propyl 1-propenyl disulfide, trans
- Disulfide, (E)-1-propenyl, propyl
- propyl trans-1-propenyl disulfide
- 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.
- 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 |
|---|---|---|---|
| ω | 0.2779 | Relay (1.0) Calculated Property | |
| ΔfG° | 146.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -34.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.311 | Crippen Calculated Property | |
| McVol | 123.800 | ml/mol | McGowan Calculated Property |
| Pc | 3427.87 | kPa | Joback Calculated Property |
| Inp | [1090.60; 1100.00] |
|
|
| Inp | 1099.00 | NIST | |
| Inp | Outlier 1090.60 | NIST | |
| Inp | 1096.00 | NIST | |
| Inp | 1100.00 | NIST | |
| Inp | 1098.00 | NIST | |
| Inp | 1098.00 | NIST | |
| Inp | 1098.00 | NIST | |
| I | [1422.00; 1482.00] |
|
|
| I | 1482.00 | NIST | |
| I | 1438.00 | NIST | |
| I | 1435.00 | NIST | |
| I | 1473.00 | NIST | |
| I | 1447.00 | NIST | |
| I | 1447.00 | NIST | |
| I | 1422.00 | NIST | |
| Tboil | 458.81 | K | Relay (1.0) Calculated Property |
| Tc | 644.29 | K | Relay (1.0) Calculated Property |
| Tfus | 196.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.431 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [236.88; 298.61] | J/mol×K | [478.40; 701.27] |
|
| Cp,gas | 236.88 | J/mol×K | 478.40 | Joback Calculated Property |
| Cp,gas | 248.67 | J/mol×K | 515.55 | Joback Calculated Property |
| Cp,gas | 259.83 | J/mol×K | 552.69 | Joback Calculated Property |
| Cp,gas | 270.40 | J/mol×K | 589.84 | Joback Calculated Property |
| Cp,gas | 280.37 | J/mol×K | 626.98 | Joback Calculated Property |
| Cp,gas | 289.77 | J/mol×K | 664.13 | Joback Calculated Property |
| Cp,gas | 298.61 | J/mol×K | 701.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Disulfide, 1-propenyl propyl, trans.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.