- InChI
- InChI=1S/C2H6O2/c1-3-4-2/h1-2H3
- InChI Key
- SRXOCFMDUSFFAK-UHFFFAOYSA-N
- Formula
- C2H6O2
- SMILES
- COOC
- Molecular Weight1
- 62.07
- Other Names
-
- Methyl peroxide
- Dimethyl peroxide
- (CH3O)2
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- ΔcH°gas : Standard gas enthalpy of combustion (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 | 0.3197 | Relay (1.0) Calculated Property | |
| PAff | 674.00 | kJ/mol | NIST |
| ΔcH°gas | -1519.00 ± 1.00 | kJ/mol | NIST |
| ΔfG° | -244.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -126.00 | kJ/mol | NIST |
| ΔfusH° | 3.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 26.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [9.10; 9.71] | eV |
|
| IE | 9.10 | eV | NIST |
| IE | 9.71 | eV | NIST |
| logPoct/wat | 0.194 | Crippen Calculated Property | |
| McVol | 50.780 | ml/mol | McGowan Calculated Property |
| Pc | 4795.85 | kPa | Joback Calculated Property |
| Tboil | 290.86 | K | Relay (1.0) Calculated Property |
| Tc | 449.30 | K | Relay (1.0) Calculated Property |
| Tfus | 177.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.208 | 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 | [78.72; 159.51] | 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 | 5.20700e+01 | |||
| Coefficient B | 6.74400e-02 | |||
| Coefficient C | 1.37000e-04 | |||
| Coefficient D | -9.70000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 78.72 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 88.78 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 99.29 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 109.93 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 120.41 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 130.41 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 139.62 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 147.75 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 154.48 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 159.51 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0014381; 0.0001305] | Pa×s | [156.76; 317.50] |
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 | -1.12838e+01 | |||
| Coefficient B | 7.42940e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 156.76 | |||
| Temperature range, max. | 317.50 | |||
| η | 0.0014381 | Pa×s | 156.76 | Calculated Property |
| η | 0.0008857 | Pa×s | 174.62 | Calculated Property |
| η | 0.0005968 | Pa×s | 192.48 | Calculated Property |
| η | 0.0004300 | Pa×s | 210.34 | Calculated Property |
| η | 0.0003262 | Pa×s | 228.20 | Calculated Property |
| η | 0.0002575 | Pa×s | 246.06 | Calculated Property |
| η | 0.0002099 | Pa×s | 263.92 | Calculated Property |
| η | 0.0001756 | Pa×s | 281.78 | Calculated Property |
| η | 0.0001501 | Pa×s | 299.64 | Calculated Property |
| η | 0.0001305 | Pa×s | 317.50 | Calculated Property |
Similar Compounds
Find more compounds similar to Peroxide, dimethyl.
Sources
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