- 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
- 202.20
- CAS
- 105-50-0
- 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
- 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).
- 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° | -571.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -831.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.69 | kJ/mol | Joback Calculated Property |
| log10WS | -0.60 | Crippen Calculated Property | |
| logPoct/wat | 0.462 | Crippen Calculated Property | |
| McVol | 154.120 | ml/mol | McGowan Calculated Property |
| Pc | 2693.00 | kPa | Joback Calculated Property |
| Tboil | 523.20 | K | NIST |
| Tc | 801.38 | K | Joback Calculated Property |
| Tfus | 385.44 | K | Joback Calculated Property |
| Vc | 0.594 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [384.88; 445.88] | J/mol×K | [611.77; 801.38] | 
|
| Cp,gas | 384.88 | J/mol×K | 611.77 | Joback Calculated Property |
| Cp,gas | 396.41 | J/mol×K | 643.37 | Joback Calculated Property |
| Cp,gas | 407.40 | J/mol×K | 674.97 | Joback Calculated Property |
| Cp,gas | 417.85 | J/mol×K | 706.57 | Joback Calculated Property |
| Cp,gas | 427.75 | J/mol×K | 738.17 | Joback Calculated Property |
| Cp,gas | 437.10 | J/mol×K | 769.78 | Joback Calculated Property |
| Cp,gas | 445.88 | J/mol×K | 801.38 | Joback Calculated Property |
| η | [0.0002140; 0.0016699] | Pa×s | [385.44; 611.77] |
|
| η | 0.0016699 | Pa×s | 385.44 | Joback Calculated Property |
| η | 0.0010179 | Pa×s | 423.16 | Joback Calculated Property |
| η | 0.0006728 | Pa×s | 460.88 | Joback Calculated Property |
| η | 0.0004734 | Pa×s | 498.61 | Joback Calculated Property |
| η | 0.0003501 | Pa×s | 536.33 | Joback Calculated Property |
| η | 0.0002693 | Pa×s | 574.05 | Joback Calculated Property |
| η | 0.0002140 | Pa×s | 611.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentanedioic acid, 3-oxo-, diethyl ester.
Sources
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