- InChI
- InChI=1S/C9H14O5/c1-4-13-8(11)7(6(3)10)9(12)14-5-2/h7H,4-5H2,1-3H3
- InChI Key
- SQAUUQRBOCJRCW-UHFFFAOYSA-N
- Formula
- C9H14O5
- SMILES
- CCOC(=O)C(C(C)=O)C(=O)OCC
- Molecular Weight1
- 202.21
- Other Names
-
- Malonic acid, acetyl-, diethyl ester
- C-Acetylmalonic ester
- Diethyl acetylmalonate
- Ethyl acetomalonate
- Diethyl 2-acetylmalonate
- Ethyl acetylmalonate
- Diethyl acetomalonate
- 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).
- 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 | 0.5716 | Relay (1.0) Calculated Property | |
| ΔfG° | -727.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -975.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.318 | Crippen Calculated Property | |
| McVol | 154.120 | ml/mol | McGowan Calculated Property |
| Pc | 2497.50 | kPa | Joback Calculated Property |
| Tboil | 516.46 | K | Relay (1.0) Calculated Property |
| Tc | 697.09 | K | Relay (1.0) Calculated Property |
| Tfus | 263.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.557 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 54.00 | kJ/mol | 436.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 398.00 | K | 2.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [229.69; 489.42] | 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 | 5.12020e+01 | |||
| Coefficient B | 7.27160e-01 | |||
| Coefficient C | -2.61100e-04 | |||
| Coefficient D | -2.78400e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 229.69 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 274.54 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 315.60 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 352.78 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 385.99 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 415.14 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 440.15 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 460.93 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 477.38 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 489.42 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0045387; 0.0002277] | Pa×s | [310.78; 534.60] |
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 | -1.25427e+01 | |||
| Coefficient B | 2.22133e+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. | 310.78 | |||
| Temperature range, max. | 534.60 | |||
| η | 0.0045387 | Pa×s | 310.78 | Calculated Property |
| η | 0.0026726 | Pa×s | 335.65 | Calculated Property |
| η | 0.0016930 | Pa×s | 360.52 | Calculated Property |
| η | 0.0011376 | Pa×s | 385.39 | Calculated Property |
| η | 0.0008021 | Pa×s | 410.26 | Calculated Property |
| η | 0.0005886 | Pa×s | 435.13 | Calculated Property |
| η | 0.0004467 | Pa×s | 460.00 | Calculated Property |
| η | 0.0003487 | Pa×s | 484.87 | Calculated Property |
| η | 0.0002788 | Pa×s | 509.74 | Calculated Property |
| η | 0.0002277 | Pa×s | 534.60 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanedioic acid, acetyl-, diethyl ester.
Sources
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