- 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.
- Ip : 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° | 68.13 | 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 | |
| Ip | [1881.40; 1914.00] |
|
|
| Ip | 1900.00 | NIST | |
| Ip | 1913.00 | NIST | |
| Ip | 1881.40 | NIST | |
| Ip | 1912.00 | NIST | |
| Ip | 1895.00 | NIST | |
| Ip | 1912.00 | NIST | |
| Ip | 1908.00 | NIST | |
| Ip | 1906.00 | NIST | |
| Ip | 1914.00 | NIST | |
| Ip | 1911.00 | NIST | |
| Ip | 1895.00 | NIST | |
| Ip | 1887.00 | NIST | |
| Ip | 1890.00 | NIST | |
| Ip | 1912.00 | NIST | |
| Ip | 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 | 382.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| 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,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 |
|---|---|---|---|---|
| Cp,gas | [93.92; 191.74] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 3.43100e+01 | |||
| Coefficient B | 2.27430e-01 | |||
| Coefficient C | -1.94000e-05 | |||
| Coefficient D | -5.06000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 93.92 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 110.10 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 125.33 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 139.44 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 152.27 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 163.67 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 173.48 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 181.53 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 187.67 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 191.74 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.22; 203.51] | kPa | [382.05; 542.24] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- 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
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