- InChI
- InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5-
- InChI Key
- IEPRKVQEAMIZSS-WAYWQWQTSA-N
- Formula
- C8H12O4
- SMILES
- CCOC(=O)C=CC(=O)OCC
- Molecular Weight1
- 172.18
- CAS
- 141-05-9
- Other Names
-
- DIETHYL ESTER MALEIC ACID
- Diethyl (2z)-2-butenedioate
- Diethylester kyseliny maleinove
- Ethyl maleate
- diethyl maleate
- maleic acid, diethyl 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).
- 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).
- NFPA Fire : NFPA Fire Rating.
- NFPA Health : NFPA Health Rating.
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- γ : Surface Tension (N/m).
- 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 |
|---|---|---|---|
| ω | 0.5778 | Relay (1.0) Calculated Property | |
| ΔfG° | -524.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -750.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.669 | Crippen Calculated Property | |
| McVol | 134.160 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 1 | KDB | |
| NFPA Health | 1 | KDB | |
| Pc | 2701.41 | kPa | Joback Calculated Property |
| Inp | [1077.30; 1130.00] |
|
|
| Inp | 1081.00 | NIST | |
| Inp | 1077.30 | NIST | |
| Inp | Outlier 1130.00 | NIST | |
| Inp | 1081.00 | NIST | |
| Inp | 1081.00 | NIST | |
| Inp | 1081.00 | NIST | |
| Inp | 1077.30 | NIST | |
| Tboil | 498.20 | K | NIST |
| Tc | 644.40 | K | Relay (1.0) Calculated Property |
| Tfus | 263.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.507 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 55.20 | kJ/mol | 414.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [193.86; 417.69] | 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 | 3.22520e+01 | |||
| Coefficient B | 6.74240e-01 | |||
| Coefficient C | -3.06000e-04 | |||
| Coefficient D | 1.72000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 193.86 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 233.25 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 268.87 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 300.80 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 329.08 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 353.77 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 374.92 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 392.59 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 406.83 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 417.69 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0045550; 0.0001965] | Pa×s | [263.15; 482.51] |
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 | -1.23055e+01 | |||
| Coefficient B | 1.81940e+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. | 263.15 | |||
| Temperature range, max. | 482.51 | |||
| η | 0.0045550 | Pa×s | 263.15 | Calculated Property |
| η | 0.0025348 | Pa×s | 287.52 | Calculated Property |
| η | 0.0015460 | Pa×s | 311.90 | Calculated Property |
| η | 0.0010129 | Pa×s | 336.27 | Calculated Property |
| η | 0.0007027 | Pa×s | 360.64 | Calculated Property |
| η | 0.0005106 | Pa×s | 385.02 | Calculated Property |
| η | 0.0003854 | Pa×s | 409.39 | Calculated Property |
| η | 0.0003002 | Pa×s | 433.76 | Calculated Property |
| η | 0.0002402 | Pa×s | 458.14 | Calculated Property |
| η | 0.0001965 | Pa×s | 482.51 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [372.32; 527.71] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.60472e+01 | |||
| Coefficient B | -5.23300e+03 | |||
| Coefficient C | -4.02720e+01 | |||
| Temperature range, min. | 372.32 | |||
| Temperature range, max. | 527.71 | |||
| Pvap | 1.33 | kPa | 372.32 | Calculated Property |
| Pvap | 2.90 | kPa | 389.59 | Calculated Property |
| Pvap | 5.88 | kPa | 406.85 | Calculated Property |
| Pvap | 11.18 | kPa | 424.12 | Calculated Property |
| Pvap | 20.10 | kPa | 441.38 | Calculated Property |
| Pvap | 34.44 | kPa | 458.65 | Calculated Property |
| Pvap | 56.54 | kPa | 475.91 | Calculated Property |
| Pvap | 89.38 | kPa | 493.18 | Calculated Property |
| Pvap | 136.62 | kPa | 510.44 | Calculated Property |
| Pvap | 202.64 | kPa | 527.71 | Calculated Property |
| Pvap | [6.72e-04; 2621.41] | kPa | [264.35; 680.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 6.30246e+01 | |||
| Coefficient B | -8.80598e+03 | |||
| Coefficient C | -6.67305e+00 | |||
| Coefficient D | 2.85276e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 264.35 | |||
| Temperature range, max. | 680.00 | |||
| Pvap | 6.72e-04 | kPa | 264.35 | Calculated Property |
| Pvap | 0.04 | kPa | 310.53 | Calculated Property |
| Pvap | 0.60 | kPa | 356.72 | Calculated Property |
| Pvap | 4.96 | kPa | 402.90 | Calculated Property |
| Pvap | 25.47 | kPa | 449.08 | Calculated Property |
| Pvap | 93.42 | kPa | 495.27 | Calculated Property |
| Pvap | 269.18 | kPa | 541.45 | Calculated Property |
| Pvap | 649.44 | kPa | 587.63 | Calculated Property |
| Pvap | 1372.11 | kPa | 633.82 | Calculated Property |
| Pvap | 2621.41 | kPa | 680.00 | Calculated Property |
| Pvap | [0.13; 100.09] | kPa | [330.40; 498.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.62117e+01 | |||
| Coefficient B | -5.35230e+03 | |||
| Coefficient C | -3.68190e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 330.40 | |||
| Temperature range, max. | 498.00 | |||
| Pvap | 0.13 | kPa | 330.40 | Calculated Property |
| Pvap | 0.39 | kPa | 349.02 | Calculated Property |
| Pvap | 1.03 | kPa | 367.64 | Calculated Property |
| Pvap | 2.45 | kPa | 386.27 | Calculated Property |
| Pvap | 5.31 | kPa | 404.89 | Calculated Property |
| Pvap | 10.70 | kPa | 423.51 | Calculated Property |
| Pvap | 20.21 | kPa | 442.13 | Calculated Property |
| Pvap | 36.11 | kPa | 460.76 | Calculated Property |
| Pvap | 61.42 | kPa | 479.38 | Calculated Property |
| Pvap | 100.09 | kPa | 498.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| γ | [0.04; 0.01] | N/m | [264.35; 498.45] |
Jasper (1972), surface tension of pure liquid compounds Compiled value
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is γ in N/m, T in K | |||
| Coefficient A | 6.30503e-02 | |||
| Coefficient B | -1.03900e-04 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 264.35 | |||
| Temperature range, max. | 498.45 | |||
| γ | 0.04 | N/m | 264.35 | Calculated Property |
| γ | 0.03 | N/m | 290.36 | Calculated Property |
| γ | 0.03 | N/m | 316.37 | Calculated Property |
| γ | 0.03 | N/m | 342.38 | Calculated Property |
| γ | 0.02 | N/m | 368.39 | Calculated Property |
| γ | 0.02 | N/m | 394.41 | Calculated Property |
| γ | 0.02 | N/m | 420.42 | Calculated Property |
| γ | 0.02 | N/m | 446.43 | Calculated Property |
| γ | 0.01 | N/m | 472.44 | Calculated Property |
| γ | 0.01 | N/m | 498.45 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butenedioic acid (Z)-, diethyl ester.
Mixtures
- 2-Butenedioic acid (Z)-, diethyl ester + Formic acid + Water
- 2-Butenedioic acid (Z)-, diethyl ester + Acetic acid + Water
- 2-Butenedioic acid (Z)-, diethyl ester + Propanoic acid + Water
- 2-Butenedioic acid (Z)-, diethyl ester + Butanoic acid + Water
- 2-Butenedioic acid (Z)-, diethyl ester + Pentanoic acid + Water
Sources
- KDB Vapor Pressure Data
- 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).
- Jasper (1972), surface tension of pure liquid compounds ChEDL chemicals 1.5.2, from Jasper, J. J. The Surface Tension of Pure Liquid Compounds. J. Phys. Chem. Ref. Data 1972, 1, 841-1010 (as transcribed in Lange's Handbook).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Phase equilibria of (water + carboxylic acid + diethyl maleate) ternary liquid systems at 298.15 K
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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