- 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-AATRIKPKSA-N
- Formula
- C8H12O4
- SMILES
- CCOC(=O)C=CC(=O)OCC
- Molecular Weight1
- 172.18
- CAS
- 623-91-6
- Other Names
-
- 2-Butenedioic acid (2E)-, 1,4-diethyl ester
- 2-Butenedioic acid (2E)-, diethyl ester
- 2-Butenedioic acid (E)-, diethyl ester
- 2-Butenedioic acid, diethyl ester, (E)-
- ANTI-PSORIATICUM
- Diethyl (2E)-2-butenedioate
- Diethyl ester of (E)-2-Butenedioic acid
- Diethylester kyseliny fumarove
- ETHYL FUMARATE
- Fumaric acid, diethyl ester
- NSC 20954
- 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).
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | -371.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -580.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.67 | kJ/mol | Joback Calculated Property |
| log10WS | -0.75 | Crippen 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 | 2947.28 | kPa | Joback Calculated Property |
| Inp | [1153.00; 1163.00] |
|
|
| Inp | 1163.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1160.00 | NIST | |
| Inp | 1160.00 | NIST | |
| I | [1647.00; 1660.00] |
|
|
| I | 1647.00 | NIST | |
| I | 1660.00 | NIST | |
| I | 1660.00 | NIST | |
| I | 1647.00 | NIST | |
| Tboil | [487.00; 491.70] | K |
|
| Tboil | 491.00 | K | KDB |
| Tboil | 491.70 | K | NIST |
| Tboil | 487.00 ± 2.00 | K | NIST |
| Tc | 730.81 | K | Joback Calculated Property |
| Tfus | 319.16 | K | Joback Calculated Property |
| Vc | 0.511 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [303.47; 362.20] | J/mol×K | [539.18; 730.81] |
|
| Cp,gas | 303.47 | J/mol×K | 539.18 | Joback Calculated Property |
| Cp,gas | 314.43 | J/mol×K | 571.12 | Joback Calculated Property |
| Cp,gas | 324.91 | J/mol×K | 603.06 | Joback Calculated Property |
| Cp,gas | 334.94 | J/mol×K | 634.99 | Joback Calculated Property |
| Cp,gas | 344.49 | J/mol×K | 666.93 | Joback Calculated Property |
| Cp,gas | 353.58 | J/mol×K | 698.87 | Joback Calculated Property |
| Cp,gas | 362.20 | J/mol×K | 730.81 | Joback Calculated Property |
| η | [0.0001934; 0.0018749] | Pa×s | [319.16; 539.18] |
|
| η | 0.0018749 | Pa×s | 319.16 | Joback Calculated Property |
| η | 0.0010564 | Pa×s | 355.83 | Joback Calculated Property |
| η | 0.0006626 | Pa×s | 392.50 | Joback Calculated Property |
| η | 0.0004501 | Pa×s | 429.17 | Joback Calculated Property |
| η | 0.0003249 | Pa×s | 465.84 | Joback Calculated Property |
| η | 0.0002460 | Pa×s | 502.51 | Joback Calculated Property |
| η | 0.0001934 | Pa×s | 539.18 | Joback Calculated Property |
| ΔvapH | 53.20 | kJ/mol | 409.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.14; 101.88] | kPa | [326.15; 492.15] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 2.93571e+01 | |||
| Coefficient B | -6.92373e+03 | |||
| Coefficient C | -1.75617e+00 | |||
| Coefficient D | 9.12753e-07 | |||
| Temperature range, min. | 326.15 | |||
| Temperature range, max. | 492.15 | |||
| Pvap | 0.14 | kPa | 326.15 | Calculated Property |
| Pvap | 0.41 | kPa | 344.59 | Calculated Property |
| Pvap | 1.06 | kPa | 363.04 | Calculated Property |
| Pvap | 2.46 | kPa | 381.48 | Calculated Property |
| Pvap | 5.31 | kPa | 399.93 | Calculated Property |
| Pvap | 10.66 | kPa | 418.37 | Calculated Property |
| Pvap | 20.17 | kPa | 436.82 | Calculated Property |
| Pvap | 36.19 | kPa | 455.26 | Calculated Property |
| Pvap | 61.98 | kPa | 473.71 | Calculated Property |
| Pvap | 101.88 | kPa | 492.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Diethyl fumarate.
Mixtures
- Carbon dioxide + Diethyl fumarate
- Propanoic acid + Diethyl fumarate + Water
- Formic acid + Diethyl fumarate + Water
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- 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
- Determination of Vapor Liquid Equilibria of the Binary System of Sub- and Supercritical CO2 and Diethyl Fumarate
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
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