- InChI
- InChI=1S/C6H10O2S2/c1-5(7)3-9-10-4-6(2)8/h3-4H2,1-2H3
- InChI Key
- BSMFRHHVHWASCC-UHFFFAOYSA-N
- Formula
- C6H10O2S2
- SMILES
- CC(=O)CSSCC(C)=O
- Molecular Weight1
- 178.28
- 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 | 0.4613 | Relay (1.0) Calculated Property | |
| ΔfG° | -191.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -346.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.546 | Crippen Calculated Property | |
| McVol | 131.240 | ml/mol | McGowan Calculated Property |
| Pc | 3745.38 | kPa | Joback Calculated Property |
| Inp | 1405.00 | NIST | |
| I | [2347.00; 2347.00] |
|
|
| I | 2347.00 | NIST | |
| I | 2347.00 | NIST | |
| Tboil | 533.45 | K | Relay (1.0) Calculated Property |
| Tc | 754.30 | K | Relay (1.0) Calculated Property |
| Tfus | 298.54 | K | Relay (1.0) Calculated Property |
| Vc | 0.451 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [175.62; 360.09] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 5.13520e+01 | |||
| Coefficient B | 5.06620e-01 | |||
| Coefficient C | -1.84800e-04 | |||
| Coefficient D | -1.30800e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 175.62 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 206.87 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 235.54 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 261.56 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 284.91 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 305.55 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 323.43 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 338.50 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 350.74 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 360.09 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to bis(2-oxopropyl) disulfide.
Sources
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