- InChI
- InChI=1S/C4H6OS2/c5-4-1-2-6-7-3-4/h1-3H2
- InChI Key
- KEYSLSNDOHVVSK-UHFFFAOYSA-N
- Formula
- C4H6OS2
- SMILES
- O=C1CCSSC1
- Molecular Weight1
- 134.22
- 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 | 0.3162 | Relay (1.0) Calculated Property | |
| ΔfG° | -27.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -96.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 3.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.341 | Crippen Calculated Property | |
| McVol | 90.630 | ml/mol | McGowan Calculated Property |
| Pc | 5560.87 | kPa | Joback Calculated Property |
| Inp | [1185.00; 1215.00] |
|
|
| Inp | 1194.00 | NIST | |
| Inp | 1215.00 | NIST | |
| Inp | 1191.00 | NIST | |
| Inp | 1209.00 | NIST | |
| Inp | 1208.00 | NIST | |
| Inp | 1191.00 | NIST | |
| Inp | 1194.00 | NIST | |
| Inp | 1185.00 | NIST | |
| Inp | 1185.00 | NIST | |
| I | [1893.00; 1893.00] |
|
|
| I | 1893.00 | NIST | |
| I | 1893.00 | NIST | |
| Tboil | 503.56 | K | Relay (1.0) Calculated Property |
| Tc | 777.29 | K | Relay (1.0) Calculated Property |
| Tfus | 329.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.290 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [165.20; 223.60] | J/mol×K | [478.62; 747.66] |
|
| Cp,gas | 165.20 | J/mol×K | 478.62 | Joback Calculated Property |
| Cp,gas | 176.55 | J/mol×K | 523.46 | Joback Calculated Property |
| Cp,gas | 187.27 | J/mol×K | 568.30 | Joback Calculated Property |
| Cp,gas | 197.34 | J/mol×K | 613.14 | Joback Calculated Property |
| Cp,gas | 206.76 | J/mol×K | 657.98 | Joback Calculated Property |
| Cp,gas | 215.52 | J/mol×K | 702.82 | Joback Calculated Property |
| Cp,gas | 223.60 | J/mol×K | 747.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Dithian-4-one.
Sources
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