- InChI
- InChI=1S/C8H12O5/c1-12-7(10)4-3-6(9)5-8(11)13-2/h3-5H2,1-2H3
- InChI Key
- CMGTZMRSJJKAPM-UHFFFAOYSA-N
- Formula
- C8H12O5
- SMILES
- COC(=O)CCC(=O)CC(=O)OC
- Molecular Weight1
- 188.18
- CAS
- 5457-44-3
- Other Names
-
- Hexanedioic acid, 3-oxo-, dimethyl ester
- 3-Oxohexanedioic acid, 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).
- 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° | -580.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -810.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.46 | kJ/mol | Joback Calculated Property |
| log10WS | -0.18 | Crippen Calculated Property | |
| logPoct/wat | 0.072 | Crippen Calculated Property | |
| McVol | 140.030 | ml/mol | McGowan Calculated Property |
| Pc | 2982.79 | kPa | Joback Calculated Property |
| Tboil | 588.89 | K | Joback Calculated Property |
| Tc | 780.70 | K | Joback Calculated Property |
| Tfus | 374.17 | K | Joback Calculated Property |
| Vc | 0.537 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [337.61; 394.43] | J/mol×K | [588.89; 780.70] | 
|
| Cp,gas | 337.61 | J/mol×K | 588.89 | Joback Calculated Property |
| Cp,gas | 348.30 | J/mol×K | 620.86 | Joback Calculated Property |
| Cp,gas | 358.52 | J/mol×K | 652.83 | Joback Calculated Property |
| Cp,gas | 368.25 | J/mol×K | 684.80 | Joback Calculated Property |
| Cp,gas | 377.48 | J/mol×K | 716.77 | Joback Calculated Property |
| Cp,gas | 386.22 | J/mol×K | 748.74 | Joback Calculated Property |
| Cp,gas | 394.43 | J/mol×K | 780.70 | Joback Calculated Property |
| η | [0.0002372; 0.0017428] | Pa×s | [374.17; 588.89] |
|
| η | 0.0017428 | Pa×s | 374.17 | Joback Calculated Property |
| η | 0.0010812 | Pa×s | 409.96 | Joback Calculated Property |
| η | 0.0007242 | Pa×s | 445.74 | Joback Calculated Property |
| η | 0.0005148 | Pa×s | 481.53 | Joback Calculated Property |
| η | 0.0003837 | Pa×s | 517.32 | Joback Calculated Property |
| η | 0.0002970 | Pa×s | 553.10 | Joback Calculated Property |
| η | 0.0002372 | Pa×s | 588.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethyl 3-oxoadipate.
Sources
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