- InChI
- InChI=1S/C11H20O4/c1-6-14-9(12)7-10(13)15-8(2)11(3,4)5/h8H,6-7H2,1-5H3
- InChI Key
- UCTIJVLVEFMFNK-UHFFFAOYSA-N
- Formula
- C11H20O4
- SMILES
- CCOC(=O)CC(=O)OC(C)C(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 | 0.5812 | Relay (1.0) Calculated Property | |
| ΔfG° | -578.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -940.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.917 | Crippen Calculated Property | |
| McVol | 180.730 | ml/mol | McGowan Calculated Property |
| Pc | 1998.33 | kPa | Joback Calculated Property |
| Inp | 1280.00 | NIST | |
| Tboil | 497.16 | K | Relay (1.0) Calculated Property |
| Tc | 683.01 | K | Relay (1.0) Calculated Property |
| Tfus | 240.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.660 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [269.73; 605.05] | 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 | 1.75520e+01 | |||
| Coefficient B | 1.07100e+00 | |||
| Coefficient C | -5.60400e-04 | |||
| Coefficient D | 7.69000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 269.73 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 329.71 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 383.45 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 431.17 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 473.14 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 509.59 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 540.76 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 566.90 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 588.25 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 605.05 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0078656; 0.0001702] | Pa×s | [285.81; 525.16] |
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 | -1.32564e+01 | |||
| Coefficient B | 2.40400e+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. | 285.81 | |||
| Temperature range, max. | 525.16 | |||
| η | 0.0078656 | Pa×s | 285.81 | Calculated Property |
| η | 0.0038438 | Pa×s | 312.40 | Calculated Property |
| η | 0.0021017 | Pa×s | 339.00 | Calculated Property |
| η | 0.0012547 | Pa×s | 365.59 | Calculated Property |
| η | 0.0008033 | Pa×s | 392.19 | Calculated Property |
| η | 0.0005443 | Pa×s | 418.78 | Calculated Property |
| η | 0.0003863 | Pa×s | 445.38 | Calculated Property |
| η | 0.0002850 | Pa×s | 471.97 | Calculated Property |
| η | 0.0002172 | Pa×s | 498.57 | Calculated Property |
| η | 0.0001702 | Pa×s | 525.16 | Calculated Property |
Similar Compounds
Find more compounds similar to Malonic acid, 3,3-dimethylbut-2-yl ethyl ester.
Sources
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