- InChI
- InChI=1S/CH4O2/c1-3-2/h2H,1H3
- InChI Key
- MEUKEBNAABNAEX-UHFFFAOYSA-N
- Formula
- CH4O2
- SMILES
- COO
- Molecular Weight1
- 48.04
- CAS
- 3031-73-0
- Other Names
-
- Methyl hydroperoxide
- ω : Acentric Factor.
- 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).
- 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).
- 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 | 0.5088 | Relay (1.0) Calculated Property | |
| ΔfG° | -284.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-131.00; -127.81] | kJ/mol |
|
| ΔfH°gas | -127.81 ± 0.91 | kJ/mol | Active Thermochemical Tables 1.112, gas-phase enthalpies of formation Compiled value |
| ΔfH°gas | -131.00 | kJ/mol | NIST |
| ΔfusH° | 3.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.00 | kJ/mol | NIST |
| IE | 9.87 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.106 | Crippen Calculated Property | |
| McVol | 36.690 | ml/mol | McGowan Calculated Property |
| Pc | 6514.14 | kPa | Joback Calculated Property |
| Tboil | 319.50 | K | Relay (1.0) Calculated Property |
| Tc | 535.55 | K | Relay (1.0) Calculated Property |
| Tfus | 256.45 | K | Relay (1.0) Calculated Property |
| Vc | 0.150 | 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 37.70 | kJ/mol | 283.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [54.60; 108.09] | 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 | 3.27700e+01 | |||
| Coefficient B | 6.96200e-02 | |||
| Coefficient C | 5.00000e-05 | |||
| Coefficient D | -4.43000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 54.60 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 61.70 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 68.83 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 75.86 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 82.65 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 89.06 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 94.95 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 100.18 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 104.61 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 108.09 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.1013468; 0.0003119] | Pa×s | [184.08; 349.93] |
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 | -1.44919e+01 | |||
| Coefficient B | 2.24628e+03 | |||
| 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. | 184.08 | |||
| Temperature range, max. | 349.93 | |||
| η | 0.1013468 | Pa×s | 184.08 | Calculated Property |
| η | 0.0333861 | Pa×s | 202.51 | Calculated Property |
| η | 0.0132363 | Pa×s | 220.93 | Calculated Property |
| η | 0.0060511 | Pa×s | 239.36 | Calculated Property |
| η | 0.0030939 | Pa×s | 257.79 | Calculated Property |
| η | 0.0017300 | Pa×s | 276.22 | Calculated Property |
| η | 0.0010403 | Pa×s | 294.64 | Calculated Property |
| η | 0.0006642 | Pa×s | 313.07 | Calculated Property |
| η | 0.0004457 | Pa×s | 331.50 | Calculated Property |
| η | 0.0003119 | Pa×s | 349.93 | Calculated Property |
Similar Compounds
Find more compounds similar to Methyl peroxide.
Sources
- Active Thermochemical Tables 1.112, gas-phase enthalpies of formation ChEDL chemicals 1.5.2, from Active Thermochemical Tables (ATcT), version 1.112, Argonne National Laboratory; Ruscic, B. et al. Active Thermochemical Tables: Thermochemistry for the 21st Century. J. Phys.: Conf. Ser. 2005, 16, 561.
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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