- InChI
- InChI=1S/C4H6O4/c1-3(5)7-8-4(2)6/h1-2H3
- InChI Key
- ZQMIGQNCOMNODD-UHFFFAOYSA-N
- Formula
- C4H6O4
- SMILES
- CC(=O)OOC(C)=O
- Molecular Weight1
- 118.09
- CAS
- 110-22-5
- 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).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- 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 | 0.5577 | Relay (1.0) Calculated Property | |
| ΔfG° | -637.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -565.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.028 | Crippen Calculated Property | |
| McVol | 82.100 | ml/mol | McGowan Calculated Property |
| Pc | 3945.61 | kPa | Joback Calculated Property |
| Tboil | 417.52 | K | Relay (1.0) Calculated Property |
| Tc | 578.03 | K | Relay (1.0) Calculated Property |
| Tfus | 303.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.326 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [123.01; 241.91] | 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 | 5.00700e+01 | |||
| Coefficient B | 2.74240e-01 | |||
| Coefficient C | -4.60000e-06 | |||
| Coefficient D | -7.78000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 123.01 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 143.07 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 161.99 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 179.53 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 195.43 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 209.46 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 221.37 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 230.91 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 237.84 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 241.91 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0009463; 0.0002584] | Pa×s | [303.15; 414.32] |
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 | -1.18006e+01 | |||
| Coefficient B | 1.46652e+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. | 303.15 | |||
| Temperature range, max. | 414.32 | |||
| η | 0.0009463 | Pa×s | 303.15 | Calculated Property |
| η | 0.0007830 | Pa×s | 315.50 | Calculated Property |
| η | 0.0006572 | Pa×s | 327.86 | Calculated Property |
| η | 0.0005587 | Pa×s | 340.21 | Calculated Property |
| η | 0.0004804 | Pa×s | 352.56 | Calculated Property |
| η | 0.0004173 | Pa×s | 364.91 | Calculated Property |
| η | 0.0003658 | Pa×s | 377.27 | Calculated Property |
| η | 0.0003234 | Pa×s | 389.62 | Calculated Property |
| η | 0.0002881 | Pa×s | 401.97 | Calculated Property |
| η | 0.0002584 | Pa×s | 414.32 | Calculated Property |
Similar Compounds
Find more compounds similar to acetyl ethaneperoxoate.
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)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
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