- InChI
- InChI=1S/C7H10O5/c1-11-6(9)3-5(8)4-7(10)12-2/h3-4H2,1-2H3
- InChI Key
- RNJOKCPFLQMDEC-UHFFFAOYSA-N
- Formula
- C7H10O5
- SMILES
- COC(=O)CC(=O)CC(=O)OC
- Molecular Weight1
- 174.15
- CAS
- 1830-54-2
- Other Names
-
- Acetone dicarboxylic acid, dimethyl ester
- Dimethyl acetonedicarboxylate
- Dimethyl 1,3-acetonedicarboxylate
- Dimethyl «beta»-ketoglutarate
- Dimethyl «beta»-oxoglutarate
- Dimethyl 3-oxopentanedioate
- Glutaric acid, 3-oxo-, dimethyl ester
- Dimethyl 3-oxoglutarate
- NSC 4677
- Pentanedioic acid, 3-oxo-, 1,5-dimethyl 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° | -588.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -789.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.23 | kJ/mol | Joback Calculated Property |
| log10WS | 0.24 | Crippen Calculated Property | |
| logPoct/wat | -0.318 | Crippen Calculated Property | |
| McVol | 125.940 | ml/mol | McGowan Calculated Property |
| Pc | 3322.01 | kPa | Joback Calculated Property |
| Tboil | 566.01 | K | Joback Calculated Property |
| Tc | 760.26 | K | Joback Calculated Property |
| Tfus | 362.90 | K | Joback Calculated Property |
| Vc | 0.481 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [292.09; 344.14] | J/mol×K | [566.01; 760.26] | 
|
| Cp,gas | 292.09 | J/mol×K | 566.01 | Joback Calculated Property |
| Cp,gas | 301.83 | J/mol×K | 598.38 | Joback Calculated Property |
| Cp,gas | 311.16 | J/mol×K | 630.76 | Joback Calculated Property |
| Cp,gas | 320.07 | J/mol×K | 663.13 | Joback Calculated Property |
| Cp,gas | 328.54 | J/mol×K | 695.51 | Joback Calculated Property |
| Cp,gas | 336.57 | J/mol×K | 727.88 | Joback Calculated Property |
| Cp,gas | 344.14 | J/mol×K | 760.26 | Joback Calculated Property |
| η | [0.0002610; 0.0017994] | Pa×s | [362.90; 566.01] |
|
| η | 0.0017994 | Pa×s | 362.90 | Joback Calculated Property |
| η | 0.0011370 | Pa×s | 396.75 | Joback Calculated Property |
| η | 0.0007723 | Pa×s | 430.60 | Joback Calculated Property |
| η | 0.0005550 | Pa×s | 464.46 | Joback Calculated Property |
| η | 0.0004171 | Pa×s | 498.31 | Joback Calculated Property |
| η | 0.0003251 | Pa×s | 532.16 | Joback Calculated Property |
| η | 0.0002610 | Pa×s | 566.01 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 423.20 | K | 3.30 | NIST |
Similar Compounds
Find more compounds similar to Pentanedioic acid, 3-oxo-, dimethyl ester.
Sources
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