- 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).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- 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).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -414.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -811.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.07 | kJ/mol | Joback Calculated Property |
| log10WS | -2.86 | Crippen Calculated Property | |
| logPoct/wat | 2.698 | Crippen Calculated Property | |
| McVol | 208.910 | ml/mol | McGowan Calculated Property |
| Pc | 1798.51 | kPa | Joback Calculated Property |
| Inp | [1512.00; 1512.00] |
|
|
| Inp | 1512.00 | NIST | |
| Inp | 1512.00 | NIST | |
| Tboil | 648.54 | K | Joback Calculated Property |
| Tc | 830.39 | K | Joback Calculated Property |
| Tfus | 350.59 | K | Joback Calculated Property |
| Vc | 0.799 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [569.26; 652.22] | J/mol×K | [648.54; 830.39] |
|
| Cp,gas | 569.26 | J/mol×K | 648.54 | Joback Calculated Property |
| Cp,gas | 584.92 | J/mol×K | 678.85 | Joback Calculated Property |
| Cp,gas | 599.84 | J/mol×K | 709.16 | Joback Calculated Property |
| Cp,gas | 614.03 | J/mol×K | 739.46 | Joback Calculated Property |
| Cp,gas | 627.48 | J/mol×K | 769.77 | Joback Calculated Property |
| Cp,gas | 640.21 | J/mol×K | 800.08 | Joback Calculated Property |
| Cp,gas | 652.22 | J/mol×K | 830.39 | Joback Calculated Property |
| η | [0.0001169; 0.0025317] | Pa×s | [350.59; 648.54] |
|
| η | 0.0025317 | Pa×s | 350.59 | Joback Calculated Property |
| η | 0.0011034 | Pa×s | 400.25 | Joback Calculated Property |
| η | 0.0005777 | Pa×s | 449.91 | Joback Calculated Property |
| η | 0.0003440 | Pa×s | 499.56 | Joback Calculated Property |
| η | 0.0002249 | Pa×s | 549.22 | Joback Calculated Property |
| η | 0.0001578 | Pa×s | 598.88 | Joback Calculated Property |
| η | 0.0001169 | Pa×s | 648.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Malonic acid, 3-hexyl isobutyl ester.
Sources
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