- InChI
- InChI=1S/C11H18O5/c1-4-15-10(13)7-6-9(8(3)12)11(14)16-5-2/h9H,4-7H2,1-3H3
- InChI Key
- NNOGMCQLKMLNPL-UHFFFAOYSA-N
- Formula
- C11H18O5
- SMILES
- CCOC(=O)CCC(C(C)=O)C(=O)OCC
- Molecular Weight1
- 230.26
- CAS
- 1501-06-0
- Other Names
-
- Diethyl «alpha»-acetoglutarate
- Diethyl «alpha»-acetylglutarate
- Pentanedioic acid, 2-acetyl-, diethyl ester
- 2-Acetylglutaric acid, 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).
- 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° | -557.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -877.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.75 | kJ/mol | Joback Calculated Property |
| log10WS | -1.19 | Crippen Calculated Property | |
| logPoct/wat | 1.098 | Crippen Calculated Property | |
| McVol | 182.300 | ml/mol | McGowan Calculated Property |
| Pc | 2244.00 | kPa | Joback Calculated Property |
| Tboil | 544.50 ± 0.50 | K | NIST |
| Tc | 846.15 | K | Joback Calculated Property |
| Tfus | 392.98 | K | Joback Calculated Property |
| Vc | 0.700 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [484.73; 553.55] | J/mol×K | [657.09; 846.15] | 
|
| Cp,gas | 484.73 | J/mol×K | 657.09 | Joback Calculated Property |
| Cp,gas | 497.88 | J/mol×K | 688.60 | Joback Calculated Property |
| Cp,gas | 510.36 | J/mol×K | 720.11 | Joback Calculated Property |
| Cp,gas | 522.17 | J/mol×K | 751.62 | Joback Calculated Property |
| Cp,gas | 533.31 | J/mol×K | 783.13 | Joback Calculated Property |
| Cp,gas | 543.77 | J/mol×K | 814.64 | Joback Calculated Property |
| Cp,gas | 553.55 | J/mol×K | 846.15 | Joback Calculated Property |
| η | [0.0001586; 0.0017853] | Pa×s | [392.98; 657.09] |
|
| η | 0.0017853 | Pa×s | 392.98 | Joback Calculated Property |
| η | 0.0009733 | Pa×s | 437.00 | Joback Calculated Property |
| η | 0.0005929 | Pa×s | 481.02 | Joback Calculated Property |
| η | 0.0003925 | Pa×s | 525.04 | Joback Calculated Property |
| η | 0.0002770 | Pa×s | 569.05 | Joback Calculated Property |
| η | 0.0002055 | Pa×s | 613.07 | Joback Calculated Property |
| η | 0.0001586 | Pa×s | 657.09 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [427.20; 443.00] | K | [1.50; 2.90] |
|
| Tboilr | 427.20 | K | 1.50 | NIST |
| Tboilr | 435.00 | K | 1.50 | NIST |
| Tboilr | 443.00 ± 1.00 | K | 2.90 | NIST |
Similar Compounds
Find more compounds similar to Diethyl 2-acetylglutarate.
Sources
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