- InChI
- InChI=1S/C13H24O4/c1-6-7-16-11(14)8-12(15)17-13(9(2)3)10(4)5/h9-10,13H,6-8H2,1-5H3
- InChI Key
- XYGLQRLIVIQKAJ-UHFFFAOYSA-N
- Formula
- C13H24O4
- SMILES
- CCCOC(=O)CC(=O)OC(C(C)C)C(C)C
- Molecular Weight1
- 244.33
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6765 | Relay (1.0) Calculated Property | |
| ΔfG° | -416.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -958.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.554 | Crippen Calculated Property | |
| McVol | 208.910 | ml/mol | McGowan Calculated Property |
| Pc | 1810.77 | kPa | Joback Calculated Property |
| Inp | [1489.00; 1489.00] |
|
|
| Inp | 1489.00 | NIST | |
| Inp | 1489.00 | NIST | |
| Tboil | 533.04 | K | Relay (1.0) Calculated Property |
| Tc | 697.84 | K | Relay (1.0) Calculated Property |
| Tfus | 202.33 | K | Relay (1.0) Calculated Property |
| Vc | 0.755 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [569.70; 653.89] | J/mol×K | [648.10; 832.83] |
|
| Cp,gas | 569.70 | J/mol×K | 648.10 | Joback Calculated Property |
| Cp,gas | 585.64 | J/mol×K | 678.89 | Joback Calculated Property |
| Cp,gas | 600.82 | J/mol×K | 709.68 | Joback Calculated Property |
| Cp,gas | 615.23 | J/mol×K | 740.46 | Joback Calculated Property |
| Cp,gas | 628.87 | J/mol×K | 771.25 | Joback Calculated Property |
| Cp,gas | 641.76 | J/mol×K | 802.04 | Joback Calculated Property |
| Cp,gas | 653.89 | J/mol×K | 832.83 | Joback Calculated Property |
| η | [0.0001087; 0.0033428] | Pa×s | [335.59; 648.10] |
|
| η | 0.0033428 | Pa×s | 335.59 | Joback Calculated Property |
| η | 0.0012868 | Pa×s | 387.68 | Joback Calculated Property |
| η | 0.0006210 | Pa×s | 439.76 | Joback Calculated Property |
| η | 0.0003497 | Pa×s | 491.85 | Joback Calculated Property |
| η | 0.0002198 | Pa×s | 543.93 | Joback Calculated Property |
| η | 0.0001499 | Pa×s | 596.02 | Joback Calculated Property |
| η | 0.0001087 | Pa×s | 648.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Malonic acid, 2,4-dimethylpent-3-yl propyl ester.
Sources
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