- InChI
- InChI=1S/C7H10O4/c1-3-11-7(10)6(9)4-5(2)8/h3-4H2,1-2H3
- InChI Key
- OYQVQWIASIXXRT-UHFFFAOYSA-N
- Formula
- C7H10O4
- SMILES
- CCOC(=O)C(=O)CC(C)=O
- Molecular Weight1
- 158.15
- CAS
- 615-79-2
- Other Names
-
- Ethyl acetopyruvate
- Pentanoic acid, 2,4-dioxo-, ethyl ester
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.5609 | Relay (1.0) Calculated Property | |
| ΔfG° | -560.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -708.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.098 | Crippen Calculated Property | |
| McVol | 120.070 | ml/mol | McGowan Calculated Property |
| Pc | 3231.98 | kPa | Joback Calculated Property |
| Tboil | 488.20 | K | Relay (1.0) Calculated Property |
| Tc | 679.08 | K | Relay (1.0) Calculated Property |
| Tfus | 291.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.454 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 375.20 | K | 1.60 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [172.17; 366.61] | 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 | 3.66520e+01 | |||
| Coefficient B | 5.58040e-01 | |||
| Coefficient C | -2.25000e-04 | |||
| Coefficient D | -3.08000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 172.17 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 205.78 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 236.41 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 264.05 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 288.70 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 310.34 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 328.96 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 344.55 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 357.10 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 366.61 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0050893; 0.0003489] | Pa×s | [291.15; 503.21] |
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 | -1.16404e+01 | |||
| Coefficient B | 1.85166e+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. | 291.15 | |||
| Temperature range, max. | 503.21 | |||
| η | 0.0050893 | Pa×s | 291.15 | Calculated Property |
| η | 0.0031613 | Pa×s | 314.71 | Calculated Property |
| η | 0.0020983 | Pa×s | 338.28 | Calculated Property |
| η | 0.0014692 | Pa×s | 361.84 | Calculated Property |
| η | 0.0010745 | Pa×s | 385.40 | Calculated Property |
| η | 0.0008147 | Pa×s | 408.96 | Calculated Property |
| η | 0.0006366 | Pa×s | 432.53 | Calculated Property |
| η | 0.0005103 | Pa×s | 456.09 | Calculated Property |
| η | 0.0004180 | Pa×s | 479.65 | Calculated Property |
| η | 0.0003489 | Pa×s | 503.21 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl 2,4-dioxovalerate.
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
- NIST Webbook
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