- InChI
- InChI=1S/C9H14O5/c1-3-13-8(11)5-7(10)6-9(12)14-4-2/h3-6H2,1-2H3
- InChI Key
- ZSANYRMTSBBUCA-UHFFFAOYSA-N
- Formula
- C9H14O5
- SMILES
- CCOC(=O)CC(=O)CC(=O)OCC
- Molecular Weight1
- 202.21
- Other Names
-
- Glutaric acid, 3-oxo-, diethyl ester
- Acetonedicarboxylic acid, diethyl ester
- Butanoic acid, (ethoxycarbonyl)-3-oxo-, ethyl ester
- Diethyl «beta»-oxoglutarate
- Diethyl acetonedicarboxylate
- Diethyl 1,3-acetonedicarboxylate
- Diethyl 3-oxoglutarate
- Diethyl 3-oxopentanedioate
- Ethyl 3-oxoglutarate
- 3-Oxoglutaric acid, diethyl ester
- 3-Oxopentanedioic acid, diethyl ester
- Ethyl acetonedicarboxylate
- Diethyl «beta»-ketoglutarate
- NSC 9013
- Pentanedioic acid, 3-oxo-, 1,5-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).
- 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 | 0.6337 | Relay (1.0) Calculated Property | |
| ΔfG° | -724.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -990.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.462 | Crippen Calculated Property | |
| McVol | 154.120 | ml/mol | McGowan Calculated Property |
| Pc | 2477.65 | kPa | Joback Calculated Property |
| Tboil | 523.20 | K | NIST |
| Tc | 701.83 | K | Relay (1.0) Calculated Property |
| Tfus | 292.71 | K | Relay (1.0) Calculated Property |
| Vc | 0.578 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [377.46; 440.24] | J/mol×K | [575.83; 760.65] | 
|
| Cp,gas | 377.46 | J/mol×K | 575.83 | Joback Calculated Property |
| Cp,gas | 389.40 | J/mol×K | 606.63 | Joback Calculated Property |
| Cp,gas | 400.76 | J/mol×K | 637.44 | Joback Calculated Property |
| Cp,gas | 411.52 | J/mol×K | 668.24 | Joback Calculated Property |
| Cp,gas | 421.70 | J/mol×K | 699.04 | Joback Calculated Property |
| Cp,gas | 431.27 | J/mol×K | 729.84 | Joback Calculated Property |
| Cp,gas | 440.24 | J/mol×K | 760.65 | Joback Calculated Property |
| η | [0.0001810; 0.0033249] | Pa×s | [325.78; 575.83] |
|
| η | 0.0033249 | Pa×s | 325.78 | Joback Calculated Property |
| η | 0.0015547 | Pa×s | 367.45 | Joback Calculated Property |
| η | 0.0008487 | Pa×s | 409.13 | Joback Calculated Property |
| η | 0.0005182 | Pa×s | 450.80 | Joback Calculated Property |
| η | 0.0003440 | Pa×s | 492.48 | Joback Calculated Property |
| η | 0.0002434 | Pa×s | 534.15 | Joback Calculated Property |
| η | 0.0001810 | Pa×s | 575.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentanedioic acid, 3-oxo-, diethyl ester.
Sources
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