- 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [270.88; 604.12] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 4.03430e+01 | |||
| Coefficient B | 9.51080e-01 | |||
| Coefficient C | -3.91800e-04 | |||
| Coefficient D | 4.50000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 270.88 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 327.98 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 380.02 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 427.03 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 469.02 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 506.00 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 537.99 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 564.99 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 587.03 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 604.12 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0095173; 0.0001759] | Pa×s | [268.39; 522.77] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.28564e+01 | |||
| Coefficient B | 2.20128e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 268.39 | |||
| Temperature range, max. | 522.77 | |||
| η | 0.0095173 | Pa×s | 268.39 | Calculated Property |
| η | 0.0043565 | Pa×s | 296.65 | Calculated Property |
| η | 0.0022846 | Pa×s | 324.92 | Calculated Property |
| η | 0.0013285 | Pa×s | 353.18 | Calculated Property |
| η | 0.0008371 | Pa×s | 381.45 | Calculated Property |
| η | 0.0005622 | Pa×s | 409.71 | Calculated Property |
| η | 0.0003975 | Pa×s | 437.98 | Calculated Property |
| η | 0.0002931 | Pa×s | 466.24 | Calculated Property |
| η | 0.0002238 | Pa×s | 494.50 | Calculated Property |
| η | 0.0001759 | Pa×s | 522.77 | Calculated Property |
Similar Compounds
Find more compounds similar to Malonic acid, ethyl 2-methylpent-3-yl ester.
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