- InChI
- InChI=1S/C17H32O4/c1-7-10-14(6)12-21-16(19)17(8-2,9-3)15(18)20-11-13(4)5/h13-14H,7-12H2,1-6H3
- InChI Key
- HHHXQGFRNOAWSK-UHFFFAOYSA-N
- Formula
- C17H32O4
- SMILES
-
CCCC(C)COC(=O)C(CC)(CC)C(=O)OC
C(C)C - Molecular Weight1
- 300.43
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1030.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.34 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.971 | Crippen Calculated Property | |
| McVol | 265.270 | ml/mol | McGowan Calculated Property |
| Pc | 1270.97 | kPa | Joback Calculated Property |
| Inp | [1647.00; 1647.00] |
|
|
| Inp | 1647.00 | NIST | |
| Inp | 1647.00 | NIST | |
| Tboil | 564.30 | K | Relay (1.0) Calculated Property |
| Tc | 743.70 | K | Relay (1.0) Calculated Property |
| Tfus | 247.63 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [778.41; 872.05] | J/mol×K | [700.89; 881.99] |
|
| Cp,gas | 778.41 | J/mol×K | 700.89 | Joback Calculated Property |
| Cp,gas | 796.51 | J/mol×K | 731.07 | Joback Calculated Property |
| Cp,gas | 813.58 | J/mol×K | 761.26 | Joback Calculated Property |
| Cp,gas | 829.65 | J/mol×K | 791.44 | Joback Calculated Property |
| Cp,gas | 844.73 | J/mol×K | 821.63 | Joback Calculated Property |
| Cp,gas | 858.86 | J/mol×K | 851.81 | Joback Calculated Property |
| Cp,gas | 872.05 | J/mol×K | 881.99 | Joback Calculated Property |
| η | [0.0000470; 0.0046483] | Pa×s | [338.43; 700.89] |
|
| η | 0.0046483 | Pa×s | 338.43 | Joback Calculated Property |
| η | 0.0012102 | Pa×s | 398.84 | Joback Calculated Property |
| η | 0.0004489 | Pa×s | 459.25 | Joback Calculated Property |
| η | 0.0002097 | Pa×s | 519.66 | Joback Calculated Property |
| η | 0.0001148 | Pa×s | 580.07 | Joback Calculated Property |
| η | 0.0000704 | Pa×s | 640.48 | Joback Calculated Property |
| η | 0.0000470 | Pa×s | 700.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, isobutyl 2-methylpentyl ester.
Sources
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