- InChI
- InChI=1S/C20H38O4/c1-6-7-8-9-10-11-12-13-14-15-23-18(21)16-19(22)24-17(2)20(3,4)5/h17H,6-16H2,1-5H3
- InChI Key
- PDXGBLBIBPMVBJ-UHFFFAOYSA-N
- Formula
- C20H38O4
- SMILES
-
CCCCCCCCCCCOC(=O)CC(=O)OC(C)C(
C)(C)C - Molecular Weight1
- 342.51
- 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 | 0.9325 | Relay (1.0) Calculated Property | |
| ΔfG° | -349.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1104.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.428 | Crippen Calculated Property | |
| McVol | 307.540 | ml/mol | McGowan Calculated Property |
| Pc | 1097.17 | kPa | Joback Calculated Property |
| Inp | [2174.00; 2174.00] |
|
|
| Inp | 2174.00 | NIST | |
| Inp | 2174.00 | NIST | |
| Tboil | 594.40 | K | Relay (1.0) Calculated Property |
| Tc | 781.18 | K | Relay (1.0) Calculated Property |
| Tfus | 260.22 | K | Relay (1.0) Calculated Property |
| Vc | 1.155 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [970.67; 1065.27] | J/mol×K | [805.91; 992.86] |
|
| Cp,gas | 970.67 | J/mol×K | 805.91 | Joback Calculated Property |
| Cp,gas | 989.01 | J/mol×K | 837.07 | Joback Calculated Property |
| Cp,gas | 1006.28 | J/mol×K | 868.23 | Joback Calculated Property |
| Cp,gas | 1022.51 | J/mol×K | 899.38 | Joback Calculated Property |
| Cp,gas | 1037.73 | J/mol×K | 930.54 | Joback Calculated Property |
| Cp,gas | 1051.98 | J/mol×K | 961.70 | Joback Calculated Property |
| Cp,gas | 1065.27 | J/mol×K | 992.86 | Joback Calculated Property |
| η | [0.0000392; 0.0009605] | Pa×s | [446.90; 805.91] |
|
| η | 0.0009605 | Pa×s | 446.90 | Joback Calculated Property |
| η | 0.0004114 | Pa×s | 506.73 | Joback Calculated Property |
| η | 0.0002108 | Pa×s | 566.57 | Joback Calculated Property |
| η | 0.0001227 | Pa×s | 626.40 | Joback Calculated Property |
| η | 0.0000785 | Pa×s | 686.24 | Joback Calculated Property |
| η | 0.0000540 | Pa×s | 746.08 | Joback Calculated Property |
| η | 0.0000392 | Pa×s | 805.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Malonic acid, 3,3-dimethylbut-2-yl undecyl ester.
Sources
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