![2-[(1-methyl-2-oxopropy1)-dithio]-3-pentanone](/cid/115-477-5/2-1-methyl-2-oxopropy1-dithio-3-pentanone.png "2-[(1-methyl-2-oxopropy1)-dithio]-3-pentanone")
- InChI
- InChI=1S/C9H16O2S2/c1-5-9(11)8(4)13-12-7(3)6(2)10/h7-8H,5H2,1-4H3
- InChI Key
- DYAXZUZAGRJLCX-UHFFFAOYSA-N
- Formula
- C9H16O2S2
- SMILES
- CCC(=O)C(C)SSC(C)C(C)=O
- Molecular Weight1
- 220.35
- 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 | 0.4448 | Relay (... Calculated Property | |
| ΔfG° | -171.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -464.76 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 23.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.05 | kJ/mol | Relay (... Calculated Property |
| IE | 8.41 | eV | Relay (... Calculated Property |
| log10WS | -1.62 | Relay (... Calculated Property | |
| logPoct/wat | 2.713 | Crippen Calculated Property | |
| McVol | 173.510 | ml/mol | McGowan Calculated Property |
| Pc | 2752.67 | kPa | Joback Calculated Property |
| Inp | [1562.00; 1567.00] |
|
|
| Inp | 1562.00 | NIST | |
| Inp | 1567.00 | NIST | |
| Inp | 1562.00 | NIST | |
| Tboil | 534.05 | K | Relay (... Calculated Property |
| Tc | 740.09 | K | Relay (... Calculated Property |
| Tfus | 309.22 | K | Relay (... Calculated Property |
| Vc | 0.587 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [423.62; 491.75] | J/mol×K | [649.74; 876.37] |
|
| Cp,gas | 423.62 | J/mol×K | 649.74 | Joback Calculated Property |
| Cp,gas | 437.16 | J/mol×K | 687.51 | Joback Calculated Property |
| Cp,gas | 449.82 | J/mol×K | 725.28 | Joback Calculated Property |
| Cp,gas | 461.60 | J/mol×K | 763.05 | Joback Calculated Property |
| Cp,gas | 472.51 | J/mol×K | 800.83 | Joback Calculated Property |
| Cp,gas | 482.56 | J/mol×K | 838.60 | Joback Calculated Property |
| Cp,gas | 491.75 | J/mol×K | 876.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-[(1-methyl-2-oxopropy1)-dithio]-3-pentanone.
Sources
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