- InChI
- InChI=1S/C3H8O4S2/c1-8(4,5)3-9(2,6)7/h3H2,1-2H3
- InChI Key
- VDPDRYUUTXEEIE-UHFFFAOYSA-N
- Formula
- C3H8O4S2
- SMILES
- CS(=O)(=O)CS(C)(=O)=O
- Molecular Weight1
- 172.22
- CAS
- 1750-62-5
- 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 | 0.5485 | Relay (1.0) Calculated Property | |
| ΔfG° | -962.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -701.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.967 | Crippen Calculated Property | |
| McVol | 109.310 | ml/mol | McGowan Calculated Property |
| Pc | 6990.97 | kPa | Joback Calculated Property |
| Inp | [1359.70; 1359.70] |
|
|
| Inp | 1359.70 | NIST | |
| Inp | 1359.70 | NIST | |
| Tboil | 577.18 | K | Relay (1.0) Calculated Property |
| Tc | 796.43 | K | Relay (1.0) Calculated Property |
| Tfus | 413.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.405 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [190.11; 236.82] | J/mol×K | [363.60; 526.04] |
|
| Cp,gas | 190.11 | J/mol×K | 363.60 | Joback Calculated Property |
| Cp,gas | 198.40 | J/mol×K | 390.67 | Joback Calculated Property |
| Cp,gas | 206.51 | J/mol×K | 417.75 | Joback Calculated Property |
| Cp,gas | 214.41 | J/mol×K | 444.82 | Joback Calculated Property |
| Cp,gas | 222.11 | J/mol×K | 471.89 | Joback Calculated Property |
| Cp,gas | 229.58 | J/mol×K | 498.96 | Joback Calculated Property |
| Cp,gas | 236.82 | J/mol×K | 526.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Bis(methylsulfonyl)methane.
Sources
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