- InChI
- InChI=1S/C11H20O4/c1-5-9(8(3)4)15-11(13)7-10(12)14-6-2/h8-9H,5-7H2,1-4H3
- InChI Key
- NYTCINZOTOVLQN-UHFFFAOYSA-N
- Formula
- C11H20O4
- SMILES
- CCOC(=O)CC(=O)OC(CC)C(C)C
- Molecular Weight1
- 216.27
- 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 | 0.6196 | Relay (1.0) Calculated Property | |
| ΔfG° | -583.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -927.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.917 | Crippen Calculated Property | |
| McVol | 180.730 | ml/mol | McGowan Calculated Property |
| Pc | 1978.82 | kPa | Joback Calculated Property |
| Inp | [1309.00; 1309.00] |
|
|
| Inp | 1309.00 | NIST | |
| Inp | 1309.00 | NIST | |
| Tboil | 508.73 | K | Relay (1.0) Calculated Property |
| Tc | 686.03 | K | Relay (1.0) Calculated Property |
| Tfus | 193.99 | K | Relay (1.0) Calculated Property |
| Vc | 0.663 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [454.38; 533.98] | J/mol×K | [566.84; 746.81] |
|
| Cp,gas | 454.38 | J/mol×K | 566.84 | Joback Calculated Property |
| Cp,gas | 469.37 | J/mol×K | 596.84 | Joback Calculated Property |
| Cp,gas | 483.67 | J/mol×K | 626.83 | Joback Calculated Property |
| Cp,gas | 497.28 | J/mol×K | 656.83 | Joback Calculated Property |
| Cp,gas | 510.20 | J/mol×K | 686.82 | Joback Calculated Property |
| Cp,gas | 522.43 | J/mol×K | 716.82 | Joback Calculated Property |
| Cp,gas | 533.98 | J/mol×K | 746.81 | Joback Calculated Property |
| η | [0.0001268; 0.0095173] | Pa×s | [268.39; 566.84] |
|
| η | 0.0095173 | Pa×s | 268.39 | Joback Calculated Property |
| η | 0.0026398 | Pa×s | 318.13 | Joback Calculated Property |
| η | 0.0010357 | Pa×s | 367.87 | Joback Calculated Property |
| η | 0.0005078 | Pa×s | 417.61 | Joback Calculated Property |
| η | 0.0002898 | Pa×s | 467.36 | Joback Calculated Property |
| η | 0.0001842 | Pa×s | 517.10 | Joback Calculated Property |
| η | 0.0001268 | Pa×s | 566.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Malonic acid, ethyl 2-methylpent-3-yl ester.
Sources
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