- InChI
- InChI=1S/C6H8O4/c1-4(7)3-5(8)6(9)10-2/h3H2,1-2H3
- InChI Key
- OMHOEQINEXASKE-UHFFFAOYSA-N
- Formula
- C6H8O4
- SMILES
- COC(=O)C(=O)CC(C)=O
- Molecular Weight1
- 144.13
- CAS
- 20577-61-1
- Other Names
-
- methyl acetopyruvate
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -492.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -637.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.60 | kJ/mol | Joback Calculated Property |
| log10WS | 0.24 | Crippen Calculated Property | |
| logPoct/wat | -0.292 | Crippen Calculated Property | |
| McVol | 105.980 | ml/mol | McGowan Calculated Property |
| Pc | 3801.00 | kPa | Joback Calculated Property |
| Tboil | 520.71 | K | Joback Calculated Property |
| Tc | 719.19 | K | Joback Calculated Property |
| Tfus | 329.40 | K | Joback Calculated Property |
| Vc | 0.407 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [227.36; 273.68] | J/mol×K | [520.71; 719.19] | 
|
| Cp,gas | 227.36 | J/mol×K | 520.71 | Joback Calculated Property |
| Cp,gas | 236.04 | J/mol×K | 553.79 | Joback Calculated Property |
| Cp,gas | 244.33 | J/mol×K | 586.87 | Joback Calculated Property |
| Cp,gas | 252.25 | J/mol×K | 619.95 | Joback Calculated Property |
| Cp,gas | 259.79 | J/mol×K | 653.03 | Joback Calculated Property |
| Cp,gas | 266.93 | J/mol×K | 686.11 | Joback Calculated Property |
| Cp,gas | 273.68 | J/mol×K | 719.19 | Joback Calculated Property |
| η | [0.0003456; 0.0023960] | Pa×s | [329.40; 520.71] |
|
| η | 0.0023960 | Pa×s | 329.40 | Joback Calculated Property |
| η | 0.0015048 | Pa×s | 361.29 | Joback Calculated Property |
| η | 0.0010192 | Pa×s | 393.17 | Joback Calculated Property |
| η | 0.0007318 | Pa×s | 425.06 | Joback Calculated Property |
| η | 0.0005503 | Pa×s | 456.94 | Joback Calculated Property |
| η | 0.0004295 | Pa×s | 488.83 | Joback Calculated Property |
| η | 0.0003456 | Pa×s | 520.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentanoic acid, 2,4-dioxo-, methyl ester.
Sources
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