- InChI
- InChI=1S/C9H14O4/c1-3-12-8(10)6-5-7-9(11)13-4-2/h5-6H,3-4,7H2,1-2H3/b6-5+
- InChI Key
- JHCKGVJZNIWNJK-AATRIKPKSA-N
- Formula
- C9H14O4
- SMILES
- CCOC(=O)C=CCC(=O)OCC
- Molecular Weight1
- 186.21
- CAS
- 2049-67-4
- Other Names
-
- 2-Pentenedioic acid, diethyl ester
- Glutaconic acid, diethyl ester
- Diethyl 2-pentenedioate
- diethyl pent-2-enedioate
- 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).
- 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).
- 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 | 0.5760 | Relay (1.0) Calculated Property | |
| ΔfG° | -515.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -764.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.059 | Crippen Calculated Property | |
| McVol | 148.250 | ml/mol | McGowan Calculated Property |
| Pc | 2450.74 | kPa | Joback Calculated Property |
| Tboil | 510.20 | K | NIST |
| Tc | 678.18 | K | Relay (1.0) Calculated Property |
| Tfus | 244.50 | K | Relay (1.0) Calculated Property |
| Vc | 0.556 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [340.53; 406.29] | J/mol×K | [526.12; 710.16] | 
|
| Cp,gas | 340.53 | J/mol×K | 526.12 | Joback Calculated Property |
| Cp,gas | 352.94 | J/mol×K | 556.79 | Joback Calculated Property |
| Cp,gas | 364.77 | J/mol×K | 587.47 | Joback Calculated Property |
| Cp,gas | 376.01 | J/mol×K | 618.14 | Joback Calculated Property |
| Cp,gas | 386.67 | J/mol×K | 648.81 | Joback Calculated Property |
| Cp,gas | 396.76 | J/mol×K | 679.48 | Joback Calculated Property |
| Cp,gas | 406.29 | J/mol×K | 710.16 | Joback Calculated Property |
| η | [0.0001524; 0.0047054] | Pa×s | [270.77; 526.12] |
|
| η | 0.0047054 | Pa×s | 270.77 | Joback Calculated Property |
| η | 0.0018019 | Pa×s | 313.33 | Joback Calculated Property |
| η | 0.0008681 | Pa×s | 355.89 | Joback Calculated Property |
| η | 0.0004888 | Pa×s | 398.44 | Joback Calculated Property |
| η | 0.0003075 | Pa×s | 441.00 | Joback Calculated Property |
| η | 0.0002099 | Pa×s | 483.56 | Joback Calculated Property |
| η | 0.0001524 | Pa×s | 526.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethyl glutaconate.
Sources
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