- InChI
- InChI=1S/C2H6O/c1-3-2/h1-2H3/i1D3,2D3
- InChI Key
- LCGLNKUTAGEVQW-WFGJKAKNSA-N
- Formula
- C2D6O
- SMILES
- COC
- Molecular Weight1
- 52.11
- CAS
- 17222-37-6
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- 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 | 0.2003 | Relay (1.0) Calculated Property | |
| PAff | 780.40 | kJ/mol | NIST |
| BasG | 753.00 | kJ/mol | NIST |
| ΔfG° | -139.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -166.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 2.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 18.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.83 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.263 | Crippen Calculated Property | |
| McVol | 44.910 | ml/mol | McGowan Calculated Property |
| Pc | 4910.80 | kPa | Joback Calculated Property |
| Tboil | 245.65 | K | Relay (1.0) Calculated Property |
| Tc | 396.40 | K | Relay (1.0) Calculated Property |
| Tfus | 134.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.159 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [63.31; 141.01] | 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 | 2.65700e+01 | |||
| Coefficient B | 1.30640e-01 | |||
| Coefficient C | 2.60000e-05 | |||
| Coefficient D | -4.22000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 63.31 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 74.17 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 84.79 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 95.02 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 104.75 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 113.82 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 122.12 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 129.51 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 135.85 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 141.01 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0013866; 0.0001090] | Pa×s | [134.53; 299.72] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.11959e+01 | |||
| Coefficient B | 6.20850e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 134.53 | |||
| Temperature range, max. | 299.72 | |||
| η | 0.0013866 | Pa×s | 134.53 | Calculated Property |
| η | 0.0007968 | Pa×s | 152.88 | Calculated Property |
| η | 0.0005156 | Pa×s | 171.24 | Calculated Property |
| η | 0.0003630 | Pa×s | 189.59 | Calculated Property |
| η | 0.0002718 | Pa×s | 207.95 | Calculated Property |
| η | 0.0002134 | Pa×s | 226.30 | Calculated Property |
| η | 0.0001737 | Pa×s | 244.66 | Calculated Property |
| η | 0.0001455 | Pa×s | 263.01 | Calculated Property |
| η | 0.0001247 | Pa×s | 281.37 | Calculated Property |
| η | 0.0001090 | Pa×s | 299.72 | Calculated Property |
Similar Compounds
Find more compounds similar to (CD3)2O.
Sources
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