- InChI
- InChI=1S/C2H6O2S/c1-5(2,3)4/h1-2H3
- InChI Key
- HHVIBTZHLRERCL-UHFFFAOYSA-N
- Formula
- C2H6O2S
- SMILES
- CS(C)(=O)=O
- Molecular Weight1
- 94.13
- CAS
- 67-71-0
- Other Names
-
- DMSO2
- Dimethyl sulfone
- Dimethyl sulphone
- MSM
- Methane, 1,1'-sulfonylbis-
- Methyl sulfone
- Methylsulfonylmethane
- NSC 63345
- Sulfone, dimethyl-
- Sulfonylbismethane
- Sulphonylbismethane
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°solid,1 bar : Solid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -1796.70 ± 0.50 | kJ/mol | NIST |
| ΔfH°gas | -373.00 ± 3.00 | kJ/mol | NIST |
| ΔfH°liquid | -446.40 | kJ/mol | NIST |
| ΔfH°solid | -449.82 ± 0.59 | kJ/mol | NIST |
| ΔfusH° | 12.31 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 77.00 ± 3.00 | kJ/mol | NIST |
| ΔvapH° | 65.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [10.65; 10.97] | eV |
|
| IE | 10.65 | eV | NIST |
| IE | 10.80 | eV | NIST |
| IE | 10.65 | eV | NIST |
| IE | 10.97 | eV | NIST |
| logPoct/wat | -0.339 | Crippen Calculated Property | |
| McVol | 67.130 | ml/mol | McGowan Calculated Property |
| Inp | [909.00; 931.00] |
|
|
| Inp | 919.00 | NIST | |
| Inp | 915.00 | NIST | |
| Inp | 926.00 | NIST | |
| Inp | 925.00 | NIST | |
| Inp | 926.00 | NIST | |
| Inp | 924.00 | NIST | |
| Inp | 921.60 | NIST | |
| Inp | 914.90 | NIST | |
| Inp | 912.00 | NIST | |
| Inp | 916.00 | NIST | |
| Inp | 911.00 | NIST | |
| Inp | 924.00 | NIST | |
| Inp | 915.00 | NIST | |
| Inp | 926.00 | NIST | |
| Inp | 924.00 | NIST | |
| Inp | 931.00 | NIST | |
| Inp | 925.00 | NIST | |
| Inp | 909.00 | NIST | |
| Inp | 918.00 | NIST | |
| Inp | 919.00 | NIST | |
| Inp | 924.00 | NIST | |
| I | [1881.40; 1914.00] |
|
|
| I | 1900.00 | NIST | |
| I | 1913.00 | NIST | |
| I | 1881.40 | NIST | |
| I | 1912.00 | NIST | |
| I | 1895.00 | NIST | |
| I | 1912.00 | NIST | |
| I | 1908.00 | NIST | |
| I | 1906.00 | NIST | |
| I | 1914.00 | NIST | |
| I | 1911.00 | NIST | |
| I | 1895.00 | NIST | |
| I | 1887.00 | NIST | |
| I | 1890.00 | NIST | |
| I | 1912.00 | NIST | |
| I | 1887.00 | NIST | |
| S°solid,1 bar | 145.48 | J/mol×K | NIST |
| Tboil | 511.00 ± 3.00 | K | NIST |
| Tfus | [378.80; 383.40] | K |
|
| Tfus | 382.00 ± 2.00 | K | NIST |
| Tfus | 378.80 ± 1.30 | K | NIST |
| Tfus | 383.00 ± 2.00 | K | NIST |
| Tfus | 382.00 ± 2.00 | K | NIST |
| Tfus | 383.40 ± 0.50 | K | NIST |
| Tfus | 383.40 ± 1.00 | K | NIST |
| Tfus | 379.70 ± 0.50 | K | NIST |
| Tfus | 381.55 ± 0.60 | K | NIST |
| Ttriple | [382.00; 382.01] | K |
|
| Ttriple | 382.00 ± 0.06 | K | NIST |
| Ttriple | 382.01 ± 0.04 | K | NIST |
| Ttriple | 382.00 ± 0.06 | K | NIST |
| Ttriple | 382.01 ± 0.04 | K | NIST |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [98.00; 128.79] | J/mol×K | [292.94; 453.77] |
|
| Cp,gas | 98.00 | J/mol×K | 292.94 | Joback Calculated Property |
| Cp,gas | 103.39 | J/mol×K | 319.74 | Joback Calculated Property |
| Cp,gas | 108.69 | J/mol×K | 346.55 | Joback Calculated Property |
| Cp,gas | 113.88 | J/mol×K | 373.35 | Joback Calculated Property |
| Cp,gas | 118.97 | J/mol×K | 400.16 | Joback Calculated Property |
| Cp,gas | 123.94 | J/mol×K | 426.96 | Joback Calculated Property |
| Cp,gas | 128.79 | J/mol×K | 453.77 | Joback Calculated Property |
| Cp,solid | 125.35 | J/mol×K | 298.15 | NIST |
| ΔfusH | [18.28; 18.30] | kJ/mol | [382.00; 382.01] |
|
| ΔfusH | 18.28 | kJ/mol | 382.00 | NIST |
| ΔfusH | 18.30 | kJ/mol | 382.01 | NIST |
| ΔfusH | 18.30 | kJ/mol | 382.01 | NIST |
| ΔvapH | 56.00 | kJ/mol | 455.00 | NIST |
| ΔfusS | [47.91; 47.91] | J/mol×K | [382.01; 382.01] |
|
| ΔfusS | 47.91 | J/mol×K | 382.01 | NIST |
| ΔfusS | 47.91 | J/mol×K | 382.01 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.22; 203.51] | kPa | [382.05; 542.24] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.48648e+01 | |||
| Coefficient B | -4.38294e+03 | |||
| Coefficient C | -8.32500e+01 | |||
| Temperature range, min. | 382.05 | |||
| Temperature range, max. | 542.24 | |||
| Pvap | 1.22 | kPa | 382.05 | Calculated Property |
| Pvap | 2.78 | kPa | 399.85 | Calculated Property |
| Pvap | 5.80 | kPa | 417.65 | Calculated Property |
| Pvap | 11.25 | kPa | 435.45 | Calculated Property |
| Pvap | 20.47 | kPa | 453.25 | Calculated Property |
| Pvap | 35.25 | kPa | 471.04 | Calculated Property |
| Pvap | 57.89 | kPa | 488.84 | Calculated Property |
| Pvap | 91.18 | kPa | 506.64 | Calculated Property |
| Pvap | 138.45 | kPa | 524.44 | Calculated Property |
| Pvap | 203.51 | kPa | 542.24 | Calculated Property |
Similar Compounds
Find more compounds similar to Methane, sulfonylbis-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.