- InChI
- InChI=1S/C2H6OS/c1-4(2)3/h1-2H3/i1D3,2D3
- InChI Key
- IAZDPXIOMUYVGZ-WFGJKAKNSA-N
- Formula
- C2H6OS
- SMILES
-
[2H]C([2H])([2H])S(=O)C([2H])(
[2H])[2H] - Molecular Weight1
- 84.17
- CAS
- 2206-27-1
- Other Names
-
- (methyl sulfoxide)-d6
- Deutero-,dimethylsulfoxide
- Methane-D3-, sulfinylbis-
- di[(2H3)methyl] sulphoxide
- dimethyl-d6 sulfoxide
- hexadeuteriodimethyl sulfoxide
- sulfinylbismethane-d3
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -527.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 31.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.11 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | -0.005 | Crippen Calculated Property | |
| McVol | 61.260 | ml/mol | McGowan Calculated Property |
| Tboil | 275.07 | K | Relay (1.0) Calculated Property |
| Tc | 872.92 | K | Relay (1.0) Calculated Property |
| Tfus | 293.40 | K | Efficient determination of crystallisation and melting points at low cooling and heating rates with novel computer controlled equipment |
Cheméo can also estimate 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [81.17; 170.42] | 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 | 2.74900e+01 | |||
| Coefficient B | 2.07830e-01 | |||
| Coefficient C | -3.21000e-05 | |||
| Coefficient D | -3.28000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 81.17 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 95.55 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 109.05 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 121.58 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 133.03 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 143.29 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 152.26 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 159.85 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 165.93 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 170.42 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylsulfoxide-D6.
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
- Efficient determination of crystallisation and melting points at low cooling and heating rates with novel computer controlled equipment
- Joback Method
- McGowan Method
- NIST Webbook
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