- InChI
- InChI=1S/C17H32O4/c1-8-17(9-2,15(18)20-11-13(5)6)16(19)21-14(7)10-12(3)4/h12-14H,8-11H2,1-7H3
- InChI Key
- PWINEWIGHZNDBE-UHFFFAOYSA-N
- Formula
- C17H32O4
- SMILES
-
CCC(CC)(C(=O)OCC(C)C)C(=O)OC(C
)CC(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 | -1050.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.28 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.970 | Crippen Calculated Property | |
| McVol | 265.270 | ml/mol | McGowan Calculated Property |
| Pc | 1356.63 | kPa | Joback Calculated Property |
| Inp | 1611.00 | NIST | |
| Tboil | 549.24 | K | Relay (1.0) Calculated Property |
| Tc | 731.95 | K | Relay (1.0) Calculated Property |
| Tfus | 264.86 | 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 | [794.31; 886.74] | J/mol×K | [736.39; 924.60] | 
|
| Cp,gas | 794.31 | J/mol×K | 736.39 | Joback Calculated Property |
| Cp,gas | 812.16 | J/mol×K | 767.76 | Joback Calculated Property |
| Cp,gas | 829.01 | J/mol×K | 799.13 | Joback Calculated Property |
| Cp,gas | 844.86 | J/mol×K | 830.49 | Joback Calculated Property |
| Cp,gas | 859.75 | J/mol×K | 861.86 | Joback Calculated Property |
| Cp,gas | 873.70 | J/mol×K | 893.23 | Joback Calculated Property |
| Cp,gas | 886.74 | J/mol×K | 924.60 | Joback Calculated Property |
| η | [0.0000526; 0.0022559] | Pa×s | [383.09; 736.39] |
|
| η | 0.0022559 | Pa×s | 383.09 | Joback Calculated Property |
| η | 0.0007942 | Pa×s | 441.97 | Joback Calculated Property |
| η | 0.0003574 | Pa×s | 500.86 | Joback Calculated Property |
| η | 0.0001903 | Pa×s | 559.74 | Joback Calculated Property |
| η | 0.0001142 | Pa×s | 618.62 | Joback Calculated Property |
| η | 0.0000749 | Pa×s | 677.51 | Joback Calculated Property |
| η | 0.0000526 | Pa×s | 736.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, isobutyl 4-methylpent-2-yl ester.
Sources
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