- InChI
- InChI=1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3
- InChI Key
- IYXGSMUGOJNHAZ-UHFFFAOYSA-N
- Formula
- C7H12O4
- SMILES
- CCOC(=O)CC(=O)OCC
- Molecular Weight1
- 160.17
- CAS
- 105-53-3
- Other Names
-
- 1,3-propanedioic acid, diethyl ester
- Carbethoxyacetic ester
- Dicarbethoxymethane
- Diethyl propanedioate
- Ethyl malonate
- Malonic acid diethylester
- Malonic acid, diethyl ester
- Malonic ester
- Methanedicarboxylic acid, diethyl ester
- NSC 8864
- Propanedioic acid, 1,3-diethyl ester
- Propanedioic acid, diethyl ester
- diethyl 1,3-propanedioate
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- ΔfH°liquid : Liquid phase 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).
- 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).
- Pvap : Vapor pressure (kPa).
- n0 : Refractive Index.
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ΔcH°liquid | -3483.00 ± 4.10 | kJ/mol | NIST |
| ΔfG° | -459.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -921.70 ± 4.20 | kJ/mol | NIST |
| ΔfH°liquid | -986.60 ± 4.20 | kJ/mol | NIST |
| ΔfusH° | 19.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [64.70; 64.90] | kJ/mol |
|
| ΔvapH° | 64.70 ± 0.20 | kJ/mol | NIST |
| ΔvapH° | 64.90 | kJ/mol | NIST |
| log10WS | [-0.82; -0.82] |
|
|
| log10WS | -0.82 | Aq. Sol... | |
| log10WS | -0.82 | Estimat... | |
| logPoct/wat | 0.503 | Crippen Calculated Property | |
| McVol | 124.370 | ml/mol | McGowan Calculated Property |
| Pc | 3093.29 | kPa | Joback Calculated Property |
| Inp | [1029.00; 1083.00] |
|
|
| Inp | 1033.00 | NIST | |
| Inp | 1033.30 | NIST | |
| Inp | 1078.00 | NIST | |
| Inp | 1083.00 | NIST | |
| Inp | 1038.00 | NIST | |
| Inp | 1068.80 | NIST | |
| Inp | 1069.20 | NIST | |
| Inp | 1069.20 | NIST | |
| Inp | 1035.00 | NIST | |
| Inp | 1066.90 | NIST | |
| Inp | 1069.00 | NIST | |
| Inp | 1034.00 | NIST | |
| Inp | 1034.00 | NIST | |
| Inp | 1032.00 | NIST | |
| Inp | 1029.00 | NIST | |
| Inp | 1033.00 | NIST | |
| Inp | 1069.00 | NIST | |
| Inp | 1032.00 | NIST | |
| Inp | 1069.00 | NIST | |
| Inp | 1072.00 | NIST | |
| Inp | 1043.00 | NIST | |
| Inp | 1043.00 | NIST | |
| Inp | 1064.00 | NIST | |
| Inp | 1040.00 | NIST | |
| Inp | 1035.00 | NIST | |
| Inp | 1078.00 | NIST | |
| Inp | 1069.00 | NIST | |
| Inp | 1040.00 | NIST | |
| Inp | 1066.90 | NIST | |
| Inp | 1034.00 | NIST | |
| Inp | 1033.00 | NIST | |
| Inp | 1038.00 | NIST | |
| I | [1542.00; 1595.00] |
|
|
| I | 1595.00 | NIST | |
| I | 1580.00 | NIST | |
| I | 1572.00 | NIST | |
| I | 1574.00 | NIST | |
| I | 1574.00 | NIST | |
| I | 1571.00 | NIST | |
| I | 1572.00 | NIST | |
| I | 1572.00 | NIST | |
| I | 1582.00 | NIST | |
| I | Outlier 1542.00 | NIST | |
| I | 1572.00 | NIST | |
| I | 1595.00 | NIST | |
| I | 1571.00 | NIST | |
| I | 1580.00 | NIST | |
| I | 1574.00 | NIST | |
| Tboil | [373.35; 473.05] | K |
|
| Tboil | 473.05 | K | Ternary... |
| Tboil | 472.50 | K | NIST |
| Tboil | 373.35 ± 0.40 | K | NIST |
| Tboil | 472.05 ± 0.30 | K | NIST |
| Tc | 651.00 | K | Critica... |
| Tfus | [221.70; 224.30] | K |
|
| Tfus | 221.70 ± 0.50 | K | NIST |
| Tfus | 224.30 ± 1.00 | K | NIST |
| Tfus | 223.25 ± 0.30 | K | NIST |
| Vc | 0.475 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [278.30; 335.29] | J/mol×K | [512.14; 697.87] |
|
| Cp,gas | 278.30 | J/mol×K | 512.14 | Joback Calculated Property |
| Cp,gas | 288.74 | J/mol×K | 543.09 | Joback Calculated Property |
| Cp,gas | 298.81 | J/mol×K | 574.05 | Joback Calculated Property |
| Cp,gas | 308.51 | J/mol×K | 605.00 | Joback Calculated Property |
| Cp,gas | 317.83 | J/mol×K | 635.96 | Joback Calculated Property |
| Cp,gas | 326.76 | J/mol×K | 666.91 | Joback Calculated Property |
| Cp,gas | 335.29 | J/mol×K | 697.87 | Joback Calculated Property |
| Cp,liquid | [284.90; 300.20] | J/mol×K | [294.60; 298.15] |
|
| Cp,liquid | 284.90 | J/mol×K | 294.60 | NIST |
| Cp,liquid | 284.90 | J/mol×K | 294.60 | NIST |
| Cp,liquid | 300.20 | J/mol×K | 298.15 | NIST |
| η | [0.0002482; 0.0020676] | Pa×s | [312.97; 512.14] |
|
| η | 0.0020676 | Pa×s | 312.97 | Joback Calculated Property |
| η | 0.0012258 | Pa×s | 346.17 | Joback Calculated Property |
| η | 0.0007964 | Pa×s | 379.36 | Joback Calculated Property |
| η | 0.0005546 | Pa×s | 412.56 | Joback Calculated Property |
| η | 0.0004076 | Pa×s | 445.75 | Joback Calculated Property |
| η | 0.0003126 | Pa×s | 478.94 | Joback Calculated Property |
| η | 0.0002482 | Pa×s | 512.14 | Joback Calculated Property |
| ΔvapH | [51.20; 64.70] | kJ/mol | [303.00; 426.00] |
|
| ΔvapH | 64.70 ± 0.20 | kJ/mol | 303.00 | NIST |
| ΔvapH | 63.30 | kJ/mol | 305.50 | NIST |
| ΔvapH | 51.20 | kJ/mol | 392.50 | NIST |
| ΔvapH | 59.90 | kJ/mol | 426.00 | NIST |
| Pvap | [1.44e-03; 0.10] | kPa | [265.15; 316.30] |
|
| Pvap | 1.44e-03 | kPa | 265.15 | Vapor P... |
| Pvap | 1.89e-03 | kPa | 267.65 | Vapor P... |
| Pvap | 1.94e-03 | kPa | 269.05 | Vapor P... |
| Pvap | 2.41e-03 | kPa | 270.55 | Vapor P... |
| Pvap | 2.55e-03 | kPa | 271.65 | Vapor P... |
| Pvap | 3.38e-03 | kPa | 272.85 | Vapor P... |
| Pvap | 3.28e-03 | kPa | 274.15 | Vapor P... |
| Pvap | 4.36e-03 | kPa | 275.65 | Vapor P... |
| Pvap | 4.46e-03 | kPa | 276.75 | Vapor P... |
| Pvap | 5.46e-03 | kPa | 277.85 | Vapor P... |
| Pvap | 6.37e-03 | kPa | 279.85 | Vapor P... |
| Pvap | 7.97e-03 | kPa | 282.85 | Vapor P... |
| Pvap | 6.89e-03 | kPa | 283.80 | Vapor P... |
| Pvap | 9.15e-03 | kPa | 284.55 | Vapor P... |
| Pvap | 8.58e-03 | kPa | 286.20 | Vapor P... |
| Pvap | 0.01 | kPa | 287.95 | Vapor P... |
| Pvap | 0.01 | kPa | 289.20 | Vapor P... |
| Pvap | 0.01 | kPa | 292.30 | Vapor P... |
| Pvap | 0.02 | kPa | 295.20 | Vapor P... |
| Pvap | 0.03 | kPa | 298.20 | Vapor P... |
| Pvap | 0.03 | kPa | 301.30 | Vapor P... |
| Pvap | 0.04 | kPa | 304.20 | Vapor P... |
| Pvap | 0.04 | kPa | 304.70 | Vapor P... |
| Pvap | 0.05 | kPa | 307.30 | Vapor P... |
| Pvap | 0.06 | kPa | 310.20 | Vapor P... |
| Pvap | 0.08 | kPa | 313.30 | Vapor P... |
| Pvap | 0.10 | kPa | 316.30 | Vapor P... |
| n0 | [1.40850; 1.41400] | [293.15; 308.15] |
|
|
| n0 | 1.41400 | 293.15 | Bubble ... | |
| n0 | 1.41320 | 298.15 | Density... | |
| n0 | 1.41080 | 303.15 | Density... | |
| n0 | 1.40850 | 308.15 | Density... | |
| ρl | [984.70; 1071.04] | kg/m3 | [278.15; 358.15] |
|
| ρl | 1071.04 | kg/m3 | 278.15 | Excess ... |
| ρl | 1060.33 | kg/m3 | 288.14 | Excess ... |
| ρl | 1060.33 | kg/m3 | 288.15 | Excess ... |
| ρl | 1060.33 | kg/m3 | 288.15 | Excess ... |
| ρl | 1055.25 | kg/m3 | 293.20 | Modelin... |
| ρl | 1049.60 | kg/m3 | 298.15 | Excess ... |
| ρl | 1049.60 | kg/m3 | 298.15 | Excess ... |
| ρl | 1049.60 | kg/m3 | 298.15 | Excess ... |
| ρl | 1033.50 | kg/m3 | 313.15 | Excess ... |
| ρl | 1033.50 | kg/m3 | 313.15 | Excess ... |
| ρl | 1033.50 | kg/m3 | 313.15 | Excess ... |
| ρl | 1017.34 | kg/m3 | 328.15 | Excess ... |
| ρl | 1017.34 | kg/m3 | 328.15 | Excess ... |
| ρl | 1017.34 | kg/m3 | 328.15 | Excess ... |
| ρl | 1006.50 | kg/m3 | 338.15 | Excess ... |
| ρl | 1006.50 | kg/m3 | 338.15 | Excess ... |
| ρl | 995.63 | kg/m3 | 348.15 | Excess ... |
| ρl | 995.63 | kg/m3 | 348.15 | Excess ... |
| ρl | 984.70 | kg/m3 | 358.15 | Excess ... |
Datasets
Viscosity, Pa*s
| Fixed | Measured | |
|---|---|---|
| Temperature, K - Liquid | Pressure, kPa - Liquid | Viscosity, Pa*s - Liquid |
| 303.15 | 101.30 | 0.0017 |
| Reference | ||
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.13; 101.94] | kPa | [313.15; 472.15] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 7.36189e+00 | |||
| Coefficient B | -5.71086e+03 | |||
| Coefficient C | 1.55030e+00 | |||
| Coefficient D | -8.41809e-07 | |||
| Temperature range, min. | 313.15 | |||
| Temperature range, max. | 472.15 | |||
| Pvap | 0.13 | kPa | 313.15 | Calculated Property |
| Pvap | 0.37 | kPa | 330.82 | Calculated Property |
| Pvap | 0.95 | kPa | 348.48 | Calculated Property |
| Pvap | 2.23 | kPa | 366.15 | Calculated Property |
| Pvap | 4.87 | kPa | 383.82 | Calculated Property |
| Pvap | 9.94 | kPa | 401.48 | Calculated Property |
| Pvap | 19.11 | kPa | 419.15 | Calculated Property |
| Pvap | 34.90 | kPa | 436.82 | Calculated Property |
| Pvap | 60.88 | kPa | 454.48 | Calculated Property |
| Pvap | 101.94 | kPa | 472.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Diethyl malonate.
Mixtures
- Diethyl malonate + 1-Butanol
- Diethyl malonate + 1-Propanol, 2-methyl-
- Diethyl malonate + 1-Pentanol
- Diethyl malonate + Heptane
- Diethyl malonate + Ethyl Acetate
- Diethyl malonate + Butanoic acid + Water
- Diethyl malonate + Carbon Tetrachloride
- Trichloromethane + Diethyl malonate
- Diethyl malonate + 1,4-Dioxane
- Diethyl malonate + Methyl Alcohol
- Diethyl malonate + Ethanol
- 1-Propanol + Diethyl malonate
- Isopropyl Alcohol + Diethyl malonate
- Diethyl malonate + Propanoic acid + Water
- Diethyl malonate + Formic acid + Water
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Excess molar enthalpies of diethyl malonate+ (1-butanol, 2-methyl-1-propanol, 1-pentanol, n-heptane, and ethyl acetate) at T= (288.2, 298.2, 313.2, 328.2, 338.2, and 348.2 K) and p = 101.3 kPa
- Separation of propionic acid by diethyl carbonate or diethyl malonate or diethyl fumarate and the synergistic effect of phosphorus compounds and amines
- Liquid phase equilibria of (water + formic acid + diethyl carbonate or diethyl malonate or diethyl fumarate) ternary systems at 298.15K and atmospheric pressure
- Ternary phase diagrams for aqueous mixtures of butyric acid with several solvents: experimental and correlated data
- Modeling extraction equilibria of butyric acid distributed between water and tri-n-butyl amine/diluent or tri-n-butyl phosphate/diluent system: Extension of the LSER approach
- Critical temperatures and pressures of some dicarboxylic acid diethyl esters
- Bubble points measurement for (triethyl orthoformate + diethyl malonate)
- Speeds of sound, isentropic compressibilities, viscosities, and excess molar volumes of binary mixtures of alkanoates with tetra- and trichloromethanes at 303.15 K
- Density, Viscosity, Refractive Index, and Speed of Sound for Binary Mixtures of 1,4-Dioxane with Different Organic Liquids at (298.15, 303.15, and 308.15) K
- Excess Molar Volumes of 1,3-Diethyl Propanedioate with Methanol, Ethanol, Propan-1-ol, Propan-2-ol, Butan-2-ol, 2-Methyl-propan-1-ol, and Pentan-1-ol at T = (288.15, 298.15, 313.15, and 328.15) K
- Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
- Biomass-Derived Platform Chemicals: Thermodynamic Studies on the Extraction of 5-Hydroxymethylfurfural from Ionic Liquids
- Vapor Pressure of Triethyl and Tri-n-Propyl Phosphates and Diethyl Malonate
- Excess Molar Enthalpies of Diethyl Malonate + (Methanol, + Ethanol, + 1-Propanol, and + 2-Propanol) at T = (288.2, 298.2, 313.2, and 328.2) K and p = 101.3 kPa
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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