- InChI
- InChI=1S/C3H8O2S2/c1-6-3-7(2,4)5/h3H2,1-2H3
- InChI Key
- MPHBIACXKTZAFW-UHFFFAOYSA-N
- Formula
- C3H8O2S2
- SMILES
- CSCS(C)(=O)=O
- Molecular Weight1
- 140.22
- CAS
- 20163-71-7
- 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.
- 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° | -461.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -516.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.72 | kJ/mol | Joback Calculated Property |
| log10WS | -0.29 | Crippen Calculated Property | |
| logPoct/wat | 0.352 | Crippen Calculated Property | |
| McVol | 97.570 | ml/mol | McGowan Calculated Property |
| Pc | 5619.38 | kPa | Joback Calculated Property |
| Inp | [1203.70; 1203.70] |
|
|
| Inp | 1203.70 | NIST | |
| Inp | 1203.70 | NIST | |
| Tboil | 384.60 | K | Joback Calculated Property |
| Tc | 573.93 | K | Joback Calculated Property |
| Tfus | 196.53 | K | Joback Calculated Property |
| Vc | 0.384 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [166.11; 211.23] | J/mol×K | [384.60; 573.93] |
|
| Cp,gas | 166.11 | J/mol×K | 384.60 | Joback Calculated Property |
| Cp,gas | 174.25 | J/mol×K | 416.15 | Joback Calculated Property |
| Cp,gas | 182.16 | J/mol×K | 447.71 | Joback Calculated Property |
| Cp,gas | 189.83 | J/mol×K | 479.26 | Joback Calculated Property |
| Cp,gas | 197.23 | J/mol×K | 510.82 | Joback Calculated Property |
| Cp,gas | 204.37 | J/mol×K | 542.37 | Joback Calculated Property |
| Cp,gas | 211.23 | J/mol×K | 573.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Dithiapentane 2,2-dioxide.
Sources
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