- InChI
- InChI=1S/C19H36O4/c1-9-19(10-2,16(20)22-12-14(3)4)17(21)23-13-15(5)11-18(6,7)8/h14-15H,9-13H2,1-8H3
- InChI Key
- SPMNKTXYOIMISB-UHFFFAOYSA-N
- Formula
- C19H36O4
- SMILES
-
CCC(CC)(C(=O)OCC(C)C)C(=O)OCC(
C)CC(C)(C)C - Molecular Weight1
- 328.49
- 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 | -1092.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.17 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.607 | Crippen Calculated Property | |
| McVol | 293.450 | ml/mol | McGowan Calculated Property |
| Pc | 1192.35 | kPa | Joback Calculated Property |
| Inp | 1790.00 | NIST | |
| Tboil | 578.04 | K | Relay (1.0) Calculated Property |
| Tc | 754.28 | K | Relay (1.0) Calculated Property |
| Tfus | 293.28 | 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 | [912.49; 1007.30] | J/mol×K | [779.36; 971.10] | 
|
| Cp,gas | 912.49 | J/mol×K | 779.36 | Joback Calculated Property |
| Cp,gas | 930.90 | J/mol×K | 811.32 | Joback Calculated Property |
| Cp,gas | 948.21 | J/mol×K | 843.27 | Joback Calculated Property |
| Cp,gas | 964.46 | J/mol×K | 875.23 | Joback Calculated Property |
| Cp,gas | 979.69 | J/mol×K | 907.19 | Joback Calculated Property |
| Cp,gas | 993.96 | J/mol×K | 939.15 | Joback Calculated Property |
| Cp,gas | 1007.30 | J/mol×K | 971.10 | Joback Calculated Property |
| η | [0.0000341; 0.0013351] | Pa×s | [423.05; 779.36] |
|
| η | 0.0013351 | Pa×s | 423.05 | Joback Calculated Property |
| η | 0.0004975 | Pa×s | 482.43 | Joback Calculated Property |
| η | 0.0002302 | Pa×s | 541.82 | Joback Calculated Property |
| η | 0.0001240 | Pa×s | 601.20 | Joback Calculated Property |
| η | 0.0000747 | Pa×s | 660.59 | Joback Calculated Property |
| η | 0.0000489 | Pa×s | 719.98 | Joback Calculated Property |
| η | 0.0000341 | Pa×s | 779.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, isobutyl 2,4,4-trimethylpentyl ester.
Sources
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