- InChI
- InChI=1S/C23H28O4/c1-5-23(6-2,21(24)26-15-19-11-7-9-17(3)13-19)22(25)27-16-20-12-8-10-18(4)14-20/h7-14H,5-6,15-16H2,1-4H3
- InChI Key
- QOPXANGJMHGWKZ-UHFFFAOYSA-N
- Formula
- C23H28O4
- SMILES
-
CCC(CC)(C(=O)OCc1cccc(C)c1)C(=
O)OCc1cccc(C)c1 - Molecular Weight1
- 368.47
- 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).
- 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 | 0.8344 | Relay (1.0) Calculated Property | |
| ΔfG° | -269.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -633.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.25 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.896 | Crippen Calculated Property | |
| McVol | 302.290 | ml/mol | McGowan Calculated Property |
| Pc | 1308.01 | kPa | Joback Calculated Property |
| Inp | [2518.00; 2518.00] |
|
|
| Inp | 2518.00 | NIST | |
| Inp | 2518.00 | NIST | |
| Tboil | 660.21 | K | Relay (1.0) Calculated Property |
| Tc | 916.29 | K | Relay (1.0) Calculated Property |
| Tfus | 319.90 | K | Relay (1.0) Calculated Property |
| Vc | 1.077 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [944.91; 1013.23] | J/mol×K | [902.37; 1126.23] |
|
| Cp,gas | 944.91 | J/mol×K | 902.37 | Joback Calculated Property |
| Cp,gas | 959.65 | J/mol×K | 939.68 | Joback Calculated Property |
| Cp,gas | 972.95 | J/mol×K | 976.99 | Joback Calculated Property |
| Cp,gas | 984.89 | J/mol×K | 1014.30 | Joback Calculated Property |
| Cp,gas | 995.54 | J/mol×K | 1051.61 | Joback Calculated Property |
| Cp,gas | 1004.97 | J/mol×K | 1088.92 | Joback Calculated Property |
| Cp,gas | 1013.23 | J/mol×K | 1126.23 | Joback Calculated Property |
| η | [0.0000220; 0.0003999] | Pa×s | [513.93; 902.37] |
|
| η | 0.0003999 | Pa×s | 513.93 | Joback Calculated Property |
| η | 0.0001883 | Pa×s | 578.67 | Joback Calculated Property |
| η | 0.0001031 | Pa×s | 643.41 | Joback Calculated Property |
| η | 0.0000631 | Pa×s | 708.15 | Joback Calculated Property |
| η | 0.0000419 | Pa×s | 772.89 | Joback Calculated Property |
| η | 0.0000296 | Pa×s | 837.63 | Joback Calculated Property |
| η | 0.0000220 | Pa×s | 902.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, di(3-methylbenzyl) ester.
Sources
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