- InChI
- InChI=1S/C22H42O4/c1-8-11-12-13-14-15-25-19(23)22(9-2,10-3)20(24)26-17-18(4)16-21(5,6)7/h18H,8-17H2,1-7H3
- InChI Key
- VEHOWGRAGRKDMO-UHFFFAOYSA-N
- Formula
- C22H42O4
- SMILES
-
CCCCCCCOC(=O)C(CC)(CC)C(=O)OCC
(C)CC(C)(C)C - Molecular Weight1
- 370.57
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -330.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1009.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.90 | kJ/mol | Joback Calculated Property |
| log10WS | -6.03 | Crippen Calculated Property | |
| logPoct/wat | 5.922 | Crippen Calculated Property | |
| McVol | 335.720 | ml/mol | McGowan Calculated Property |
| Pc | 981.46 | kPa | Joback Calculated Property |
| Inp | [2114.00; 2114.00] |
|
|
| Inp | 2114.00 | NIST | |
| Inp | 2114.00 | NIST | |
| Tboil | 848.44 | K | Joback Calculated Property |
| Tc | 1042.65 | K | Joback Calculated Property |
| Tfus | 471.86 | K | Joback Calculated Property |
| Vc | 1.288 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1093.57; 1191.08] | J/mol×K | [848.44; 1042.65] |
|
| Cp,gas | 1093.57 | J/mol×K | 848.44 | Joback Calculated Property |
| Cp,gas | 1112.56 | J/mol×K | 880.81 | Joback Calculated Property |
| Cp,gas | 1130.38 | J/mol×K | 913.18 | Joback Calculated Property |
| Cp,gas | 1147.09 | J/mol×K | 945.54 | Joback Calculated Property |
| Cp,gas | 1162.74 | J/mol×K | 977.91 | Joback Calculated Property |
| Cp,gas | 1177.39 | J/mol×K | 1010.28 | Joback Calculated Property |
| Cp,gas | 1191.08 | J/mol×K | 1042.65 | Joback Calculated Property |
| η | [0.0000227; 0.0006945] | Pa×s | [471.86; 848.44] |
|
| η | 0.0006945 | Pa×s | 471.86 | Joback Calculated Property |
| η | 0.0002810 | Pa×s | 534.62 | Joback Calculated Property |
| η | 0.0001375 | Pa×s | 597.39 | Joback Calculated Property |
| η | 0.0000771 | Pa×s | 660.15 | Joback Calculated Property |
| η | 0.0000478 | Pa×s | 722.91 | Joback Calculated Property |
| η | 0.0000320 | Pa×s | 785.68 | Joback Calculated Property |
| η | 0.0000227 | Pa×s | 848.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, heptyl 2,4,4-trimethylpentyl ester.
Sources
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