- InChI
- InChI=1S/C4H8O2/c1-4(5)3-6-2/h3H2,1-2H3
- InChI Key
- CUZLJOLBIRPEFB-UHFFFAOYSA-N
- Formula
- C4H8O2
- SMILES
- COCC(C)=O
- Molecular Weight1
- 88.11
- CAS
- 5878-19-3
- Other Names
-
- Methoxyacetone
- CH3COCH2OCH3
- Methoxy-2-propanone
- 1-Methoxyacetone
- Methoxymethyl methyl ketone
- 1-Methoxy-2-propanone
- 1-Methoxypropan-2-one
- PAff : Proton affinity (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).
- 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).
- I : Polar retention indices.
- 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 |
|---|---|---|---|
| PAff | 847.00 ± 2.00 | kJ/mol | NIST |
| ΔfG° | -251.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -370.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.65 | kJ/mol | Joback Calculated Property |
| IE | 9.66 | eV | NIST |
| log10WS | 0.14 | Crippen Calculated Property | |
| logPoct/wat | 0.222 | Crippen Calculated Property | |
| McVol | 74.660 | ml/mol | McGowan Calculated Property |
| Pc | 4130.29 | kPa | Joback Calculated Property |
| I | [1100.00; 1137.00] |
|
|
| I | 1104.00 | NIST | |
| I | 1104.00 | NIST | |
| I | 1137.00 | NIST | |
| I | 1100.00 | NIST | |
| I | 1137.00 | NIST | |
| Tboil | 391.20 | K | NIST |
| Tc | 546.48 | K | Joback Calculated Property |
| Tfus | 207.00 | K | Joback Calculated Property |
| Vc | 0.283 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [129.57; 168.41] | J/mol×K | [367.21; 546.48] |
|
| Cp,gas | 129.57 | J/mol×K | 367.21 | Joback Calculated Property |
| Cp,gas | 136.49 | J/mol×K | 397.09 | Joback Calculated Property |
| Cp,gas | 143.24 | J/mol×K | 426.97 | Joback Calculated Property |
| Cp,gas | 149.81 | J/mol×K | 456.85 | Joback Calculated Property |
| Cp,gas | 156.20 | J/mol×K | 486.73 | Joback Calculated Property |
| Cp,gas | 162.40 | J/mol×K | 516.61 | Joback Calculated Property |
| Cp,gas | 168.41 | J/mol×K | 546.48 | Joback Calculated Property |
| η | [0.0002686; 0.0024835] | Pa×s | [207.00; 367.21] |
|
| η | 0.0024835 | Pa×s | 207.00 | Joback Calculated Property |
| η | 0.0013870 | Pa×s | 233.70 | Joback Calculated Property |
| η | 0.0008729 | Pa×s | 260.40 | Joback Calculated Property |
| η | 0.0005988 | Pa×s | 287.11 | Joback Calculated Property |
| η | 0.0004380 | Pa×s | 313.81 | Joback Calculated Property |
| η | 0.0003364 | Pa×s | 340.51 | Joback Calculated Property |
| η | 0.0002686 | Pa×s | 367.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propanone, 1-methoxy-.
Sources
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