- InChI
- InChI=1S/C9H14O4/c1-4-12-8(10)6-7(3)9(11)13-5-2/h3-6H2,1-2H3
- InChI Key
- ZEFVHSWKYCYFFL-UHFFFAOYSA-N
- Formula
- C9H14O4
- SMILES
- C=C(CC(=O)OCC)C(=O)OCC
- Molecular Weight1
- 186.21
- CAS
- 2409-52-1
- Other Names
-
- Butanedioic acid, methylene-, diethyl ester
- Diethyl itaconate
- Ethyl itaconate
- Succinic acid, methylene-, diethyl ester
- Butanedioic acid, 2-methylene, diethyl ester
- Diethyl 2-methylenesuccinate
- Butanedioic acid, 2-methylene-, 1,4-diethyl ester
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Inp : Non-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 |
|---|---|---|---|
| ω | 0.6018 | Relay (1.0) Calculated Property | |
| ΔfG° | -516.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -734.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.059 | Crippen Calculated Property | |
| McVol | 148.250 | ml/mol | McGowan Calculated Property |
| Pc | 2438.65 | kPa | Joback Calculated Property |
| Inp | 1232.00 | NIST | |
| Tboil | 492.87 | K | Relay (1.0) Calculated Property |
| Tc | 680.66 | K | Relay (1.0) Calculated Property |
| Tfus | 252.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.565 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [339.90; 406.09] | J/mol×K | [518.52; 701.37] | 
|
| Cp,gas | 339.90 | J/mol×K | 518.52 | Joback Calculated Property |
| Cp,gas | 352.32 | J/mol×K | 548.99 | Joback Calculated Property |
| Cp,gas | 364.19 | J/mol×K | 579.47 | Joback Calculated Property |
| Cp,gas | 375.50 | J/mol×K | 609.94 | Joback Calculated Property |
| Cp,gas | 386.25 | J/mol×K | 640.42 | Joback Calculated Property |
| Cp,gas | 396.45 | J/mol×K | 670.89 | Joback Calculated Property |
| Cp,gas | 406.09 | J/mol×K | 701.37 | Joback Calculated Property |
| ΔvapH | 51.00 | kJ/mol | 412.50 | NIST |
Similar Compounds
Find more compounds similar to Itaconic acid diethyl ester.
Sources
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