- 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° | 31.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.82 | 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 | 1127.59 | kPa | Joback Calculated Property |
| Inp | 1790.00 | NIST | |
| Tboil | 578.04 | K | Relay (1.0) Calculated Property |
| Tc | 759.15 | K | Relay (1.0) Calculated Property |
| Tfus | 286.89 | 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 | [896.37; 993.00] | J/mol×K | [743.42; 930.24] | 
|
| Cp,gas | 896.37 | J/mol×K | 743.42 | Joback Calculated Property |
| Cp,gas | 915.26 | J/mol×K | 774.56 | Joback Calculated Property |
| Cp,gas | 932.97 | J/mol×K | 805.69 | Joback Calculated Property |
| Cp,gas | 949.56 | J/mol×K | 836.83 | Joback Calculated Property |
| Cp,gas | 965.07 | J/mol×K | 867.97 | Joback Calculated Property |
| Cp,gas | 979.53 | J/mol×K | 899.10 | Joback Calculated Property |
| Cp,gas | 993.00 | J/mol×K | 930.24 | Joback Calculated Property |
| η | [0.0000282; 0.0035384] | Pa×s | [363.39; 743.42] |
|
| η | 0.0035384 | Pa×s | 363.39 | Joback Calculated Property |
| η | 0.0008697 | Pa×s | 426.73 | Joback Calculated Property |
| η | 0.0003072 | Pa×s | 490.07 | Joback Calculated Property |
| η | 0.0001377 | Pa×s | 553.40 | Joback Calculated Property |
| η | 0.0000728 | Pa×s | 616.74 | Joback Calculated Property |
| η | 0.0000433 | Pa×s | 680.08 | Joback Calculated Property |
| η | 0.0000282 | Pa×s | 743.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, isobutyl 2,4,4-trimethylpentyl ester.
Sources
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