- InChI
- InChI=1S/C23H28O4/c1-7-23(8-2,21(24)26-19-13-9-11-15(3)17(19)5)22(25)27-20-14-10-12-16(4)18(20)6/h9-14H,7-8H2,1-6H3
- InChI Key
- VBXFQEIRCVQQJJ-UHFFFAOYSA-N
- Formula
- C23H28O4
- SMILES
-
CCC(CC)(C(=O)Oc1cccc(C)c1C)C(=
O)Oc1cccc(C)c1C - Molecular Weight1
- 368.47
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 0.8288 | Relay (1.0) Calculated Property | |
| ΔfusH° | 43.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 116.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.79 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.238 | Crippen Calculated Property | |
| McVol | 302.290 | ml/mol | McGowan Calculated Property |
| Pc | 1280.08 | kPa | Joback Calculated Property |
| Inp | 2664.00 | NIST | |
| Tboil | 654.48 | K | Relay (1.0) Calculated Property |
| Tc | 932.80 | K | Relay (1.0) Calculated Property |
| Tfus | 382.82 | K | Relay (1.0) Calculated Property |
| Vc | 1.077 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, 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 | [942.84; 1009.03] | J/mol×K | [912.33; 1137.75] | 
|
| Cp,gas | 942.84 | J/mol×K | 912.33 | Joback Calculated Property |
| Cp,gas | 957.33 | J/mol×K | 949.90 | Joback Calculated Property |
| Cp,gas | 970.36 | J/mol×K | 987.47 | Joback Calculated Property |
| Cp,gas | 981.99 | J/mol×K | 1025.04 | Joback Calculated Property |
| Cp,gas | 992.28 | J/mol×K | 1062.61 | Joback Calculated Property |
| Cp,gas | 1001.27 | J/mol×K | 1100.18 | Joback Calculated Property |
| Cp,gas | 1009.03 | J/mol×K | 1137.75 | Joback Calculated Property |
| η | [0.0000228; 0.0002918] | Pa×s | [538.97; 912.33] |
|
| η | 0.0002918 | Pa×s | 538.97 | Joback Calculated Property |
| η | 0.0001531 | Pa×s | 601.20 | Joback Calculated Property |
| η | 0.0000907 | Pa×s | 663.42 | Joback Calculated Property |
| η | 0.0000588 | Pa×s | 725.65 | Joback Calculated Property |
| η | 0.0000408 | Pa×s | 787.88 | Joback Calculated Property |
| η | 0.0000298 | Pa×s | 850.10 | Joback Calculated Property |
| η | 0.0000228 | Pa×s | 912.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, di(2,3-dimethylphenyl) ester.
Sources
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