- InChI
- InChI=1S/C13H24O4/c1-5-7-11(6-2)17-13(15)8-12(14)16-9-10(3)4/h10-11H,5-9H2,1-4H3
- InChI Key
- LQGDXHGKUZVOFD-UHFFFAOYSA-N
- Formula
- C13H24O4
- SMILES
- CCCC(CC)OC(=O)CC(=O)OCC(C)C
- Molecular Weight1
- 244.33
- 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 | -973.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.69 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.698 | Crippen Calculated Property | |
| McVol | 208.910 | ml/mol | McGowan Calculated Property |
| Pc | 1679.66 | kPa | Joback Calculated Property |
| Inp | [1512.00; 1512.00] |
|
|
| Inp | 1512.00 | NIST | |
| Inp | 1512.00 | NIST | |
| Tboil | 529.35 | K | Relay (1.0) Calculated Property |
| Tc | 702.31 | K | Relay (1.0) Calculated Property |
| Tfus | 190.38 | 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 | [556.19; 641.38] | J/mol×K | [612.60; 789.68] |
|
| Cp,gas | 556.19 | J/mol×K | 612.60 | Joback Calculated Property |
| Cp,gas | 572.32 | J/mol×K | 642.11 | Joback Calculated Property |
| Cp,gas | 587.67 | J/mol×K | 671.63 | Joback Calculated Property |
| Cp,gas | 602.24 | J/mol×K | 701.14 | Joback Calculated Property |
| Cp,gas | 616.05 | J/mol×K | 730.65 | Joback Calculated Property |
| Cp,gas | 629.09 | J/mol×K | 760.16 | Joback Calculated Property |
| Cp,gas | 641.38 | J/mol×K | 789.68 | Joback Calculated Property |
| η | [0.0000979; 0.0073078] | Pa×s | [290.93; 612.60] |
|
| η | 0.0073078 | Pa×s | 290.93 | Joback Calculated Property |
| η | 0.0020358 | Pa×s | 344.54 | Joback Calculated Property |
| η | 0.0008001 | Pa×s | 398.15 | Joback Calculated Property |
| η | 0.0003925 | Pa×s | 451.76 | Joback Calculated Property |
| η | 0.0002239 | Pa×s | 505.38 | Joback Calculated Property |
| η | 0.0001423 | Pa×s | 558.99 | Joback Calculated Property |
| η | 0.0000979 | Pa×s | 612.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Malonic acid, 3-hexyl isobutyl ester.
Sources
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