- InChI
- InChI=1S/C16H30O4/c1-12(2)11-19-14(17)8-7-9-15(18)20-13(3)10-16(4,5)6/h12-13H,7-11H2,1-6H3
- InChI Key
- PGMMNCQFWAULHJ-UHFFFAOYSA-N
- Formula
- C16H30O4
- SMILES
-
CC(C)COC(=O)CCCC(=O)OC(C)CC(C)
(C)C - Molecular Weight1
- 286.41
- 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 | -1047.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.43 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.724 | Crippen Calculated Property | |
| McVol | 251.180 | ml/mol | McGowan Calculated Property |
| Pc | 1362.64 | kPa | Joback Calculated Property |
| Inp | 1917.00 | NIST | |
| Tboil | 560.24 | K | Relay (1.0) Calculated Property |
| Tc | 725.68 | K | Relay (1.0) Calculated Property |
| Tfus | 266.81 | 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 | [721.78; 814.27] | J/mol×K | [678.01; 859.67] | 
|
| Cp,gas | 721.78 | J/mol×K | 678.01 | Joback Calculated Property |
| Cp,gas | 739.62 | J/mol×K | 708.29 | Joback Calculated Property |
| Cp,gas | 756.47 | J/mol×K | 738.56 | Joback Calculated Property |
| Cp,gas | 772.33 | J/mol×K | 768.84 | Joback Calculated Property |
| Cp,gas | 787.24 | J/mol×K | 799.12 | Joback Calculated Property |
| Cp,gas | 801.21 | J/mol×K | 829.40 | Joback Calculated Property |
| Cp,gas | 814.27 | J/mol×K | 859.67 | Joback Calculated Property |
| η | [0.0000550; 0.0055065] | Pa×s | [327.16; 678.01] |
|
| η | 0.0055065 | Pa×s | 327.16 | Joback Calculated Property |
| η | 0.0014276 | Pa×s | 385.63 | Joback Calculated Property |
| η | 0.0005281 | Pa×s | 444.11 | Joback Calculated Property |
| η | 0.0002462 | Pa×s | 502.58 | Joback Calculated Property |
| η | 0.0001346 | Pa×s | 561.06 | Joback Calculated Property |
| η | 0.0000825 | Pa×s | 619.53 | Joback Calculated Property |
| η | 0.0000550 | Pa×s | 678.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 4,4-dimethylpent-2-yl isobutyl ester.
Sources
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