- InChI
- InChI=1S/C23H44O4/c1-11-23(12-2,19(24)26-15-17(3)13-21(5,6)7)20(25)27-16-18(4)14-22(8,9)10/h17-18H,11-16H2,1-10H3
- InChI Key
- KRDLTODXEOUAMY-UHFFFAOYSA-N
- Formula
- C23H44O4
- SMILES
-
CCC(CC)(C(=O)OCC(C)CC(C)(C)C)C
(=O)OCC(C)CC(C)(C)C - Molecular Weight1
- 384.59
- 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).
- 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 | 0.8323 | Relay (1.0) Calculated Property | |
| ΔfG° | -321.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1195.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.93 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.024 | Crippen Calculated Property | |
| McVol | 349.810 | ml/mol | McGowan Calculated Property |
| Pc | 940.37 | kPa | Joback Calculated Property |
| Inp | [2063.00; 2063.00] |
|
|
| Inp | 2063.00 | NIST | |
| Inp | 2063.00 | NIST | |
| Tboil | 608.36 | K | Relay (1.0) Calculated Property |
| Tc | 788.78 | K | Relay (1.0) Calculated Property |
| Tfus | 332.02 | K | Relay (1.0) Calculated Property |
| Vc | 1.297 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1156.39; 1256.06] | J/mol×K | [867.65; 1067.87] |
|
| Cp,gas | 1156.39 | J/mol×K | 867.65 | Joback Calculated Property |
| Cp,gas | 1175.77 | J/mol×K | 901.02 | Joback Calculated Property |
| Cp,gas | 1193.95 | J/mol×K | 934.39 | Joback Calculated Property |
| Cp,gas | 1210.98 | J/mol×K | 967.76 | Joback Calculated Property |
| Cp,gas | 1226.96 | J/mol×K | 1001.13 | Joback Calculated Property |
| Cp,gas | 1241.96 | J/mol×K | 1034.50 | Joback Calculated Property |
| Cp,gas | 1256.06 | J/mol×K | 1067.87 | Joback Calculated Property |
| η | [0.0000138; 0.0006830] | Pa×s | [470.55; 867.65] |
|
| η | 0.0006830 | Pa×s | 470.55 | Joback Calculated Property |
| η | 0.0002388 | Pa×s | 536.73 | Joback Calculated Property |
| η | 0.0001052 | Pa×s | 602.92 | Joback Calculated Property |
| η | 0.0000545 | Pa×s | 669.10 | Joback Calculated Property |
| η | 0.0000318 | Pa×s | 735.28 | Joback Calculated Property |
| η | 0.0000202 | Pa×s | 801.47 | Joback Calculated Property |
| η | 0.0000138 | Pa×s | 867.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, di(2,4,4-trimethylpentyl) ester.
Sources
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