- InChI
- InChI=1S/C14H26O4/c1-6-14(10-9-11(4)5,12(15)17-7-2)13(16)18-8-3/h11H,6-10H2,1-5H3
- InChI Key
- BSPKCYBRFKQSDQ-UHFFFAOYSA-N
- Formula
- C14H26O4
- SMILES
- CCOC(=O)C(CC)(CCC(C)C)C(=O)OCC
- Molecular Weight1
- 258.36
- Other Names
-
- Diethyl isoamylethylmalonate
- Malonic acid, ethylisopentyl-, diethyl ester
- diethyl ethylisopentylmalonate
- ω : Acentric Factor.
- 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).
- 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 | 0.6530 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -941.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.37 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.945 | Crippen Calculated Property | |
| McVol | 223.000 | ml/mol | McGowan Calculated Property |
| Pc | 1675.53 | kPa | Joback Calculated Property |
| Tboil | 536.82 | K | Relay (1.0) Calculated Property |
| Tc | 707.76 | K | Relay (1.0) Calculated Property |
| Tfus | 254.71 | K | Relay (1.0) Calculated Property |
| Vc | 0.800 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, 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 | [625.23; 710.90] | J/mol×K | [668.63; 854.31] | 
|
| Cp,gas | 625.23 | J/mol×K | 668.63 | Joback Calculated Property |
| Cp,gas | 641.58 | J/mol×K | 699.58 | Joback Calculated Property |
| Cp,gas | 657.08 | J/mol×K | 730.52 | Joback Calculated Property |
| Cp,gas | 671.74 | J/mol×K | 761.47 | Joback Calculated Property |
| Cp,gas | 685.59 | J/mol×K | 792.42 | Joback Calculated Property |
| Cp,gas | 698.63 | J/mol×K | 823.36 | Joback Calculated Property |
| Cp,gas | 710.90 | J/mol×K | 854.31 | Joback Calculated Property |
| η | [0.0000950; 0.0019390] | Pa×s | [379.28; 668.63] |
|
| η | 0.0019390 | Pa×s | 379.28 | Joback Calculated Property |
| η | 0.0008833 | Pa×s | 427.50 | Joback Calculated Property |
| η | 0.0004719 | Pa×s | 475.73 | Joback Calculated Property |
| η | 0.0002830 | Pa×s | 523.95 | Joback Calculated Property |
| η | 0.0001849 | Pa×s | 572.18 | Joback Calculated Property |
| η | 0.0001291 | Pa×s | 620.40 | Joback Calculated Property |
| η | 0.0000950 | Pa×s | 668.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethyl isoamylethylmalonate.
Sources
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