- InChI
- InChI=1S/C6H8O4/c1-2-10-6(9)4-3-5(7)8/h3-4H,2H2,1H3,(H,7,8)/b4-3+
- InChI Key
- XLYMOEINVGRTEX-ONEGZZNKSA-N
- Formula
- C6H8O4
- SMILES
- CCOC(=O)C=CC(=O)O
- Molecular Weight1
- 144.13
- CAS
- 2459-05-4
- Other Names
-
- Monoethyl fumarate
- Fumaric acid monoethyl ester
- 2-Butenedioic acid (E)-, monoethyl ester
- ethyl fumarate
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -419.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -559.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.49 | kJ/mol | Joback Calculated Property |
| log10WS | -0.15 | Crippen Calculated Property | |
| logPoct/wat | 0.190 | Crippen Calculated Property | |
| McVol | 105.980 | ml/mol | McGowan Calculated Property |
| Pc | 4211.09 | kPa | Joback Calculated Property |
| Tboil | 563.18 | K | Joback Calculated Property |
| Tc | 750.05 | K | Joback Calculated Property |
| Tfus | 335.21 | K | Joback Calculated Property |
| Vc | 0.401 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [238.03; 278.04] | J/mol×K | [563.18; 750.05] | 
|
| Cp,gas | 238.03 | J/mol×K | 563.18 | Joback Calculated Property |
| Cp,gas | 245.59 | J/mol×K | 594.32 | Joback Calculated Property |
| Cp,gas | 252.78 | J/mol×K | 625.47 | Joback Calculated Property |
| Cp,gas | 259.61 | J/mol×K | 656.61 | Joback Calculated Property |
| Cp,gas | 266.10 | J/mol×K | 687.76 | Joback Calculated Property |
| Cp,gas | 272.24 | J/mol×K | 718.90 | Joback Calculated Property |
| Cp,gas | 278.04 | J/mol×K | 750.05 | Joback Calculated Property |
| η | [0.0001095; 0.0051297] | Pa×s | [335.21; 563.18] |
|
| η | 0.0051297 | Pa×s | 335.21 | Joback Calculated Property |
| η | 0.0019494 | Pa×s | 373.21 | Joback Calculated Property |
| η | 0.0008858 | Pa×s | 411.20 | Joback Calculated Property |
| η | 0.0004600 | Pa×s | 449.20 | Joback Calculated Property |
| η | 0.0002646 | Pa×s | 487.19 | Joback Calculated Property |
| η | 0.0001649 | Pa×s | 525.19 | Joback Calculated Property |
| η | 0.0001095 | Pa×s | 563.18 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 420.20 | K | 2.10 | NIST |
Similar Compounds
Find more compounds similar to Ethyl hydrogen fumarate.
Sources
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