- 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° | -474.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1195.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.87 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.024 | Crippen Calculated Property | |
| McVol | 349.810 | ml/mol | McGowan Calculated Property |
| Pc | 894.80 | 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 | 791.28 | K | Relay (1.0) Calculated Property |
| Tfus | 327.30 | K | Relay (1.0) Calculated Property |
| Vc | 1.298 | 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 | [1138.90; 1238.72] | J/mol×K | [831.71; 1026.09] |
|
| Cp,gas | 1138.90 | J/mol×K | 831.71 | Joback Calculated Property |
| Cp,gas | 1158.54 | J/mol×K | 864.11 | Joback Calculated Property |
| Cp,gas | 1176.88 | J/mol×K | 896.50 | Joback Calculated Property |
| Cp,gas | 1193.99 | J/mol×K | 928.90 | Joback Calculated Property |
| Cp,gas | 1209.95 | J/mol×K | 961.29 | Joback Calculated Property |
| Cp,gas | 1224.84 | J/mol×K | 993.69 | Joback Calculated Property |
| Cp,gas | 1238.72 | J/mol×K | 1026.09 | Joback Calculated Property |
| η | [0.0000112; 0.0016495] | Pa×s | [410.89; 831.71] |
|
| η | 0.0016495 | Pa×s | 410.89 | Joback Calculated Property |
| η | 0.0003915 | Pa×s | 481.03 | Joback Calculated Property |
| η | 0.0001340 | Pa×s | 551.16 | Joback Calculated Property |
| η | 0.0000584 | Pa×s | 621.30 | Joback Calculated Property |
| η | 0.0000301 | Pa×s | 691.44 | Joback Calculated Property |
| η | 0.0000176 | Pa×s | 761.57 | Joback Calculated Property |
| η | 0.0000112 | Pa×s | 831.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, di(2,4,4-trimethylpentyl) ester.
Sources
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