- InChI
- InChI=1S/C21H20O6/c1-13(22)15-5-9-17(10-6-15)26-19(24)21(3,4)20(25)27-18-11-7-16(8-12-18)14(2)23/h5-12H,1-4H3
- InChI Key
- ILIGCXNRWFKBSV-UHFFFAOYSA-N
- Formula
- C21H20O6
- SMILES
-
CC(=O)c1ccc(OC(=O)C(C)(C)C(=O)
Oc2ccc(C(C)=O)cc2)cc1 - Molecular Weight1
- 368.38
- 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° | -391.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -750.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.72 | kJ/mol | Joback Calculated Property |
| log10WS | -5.25 | Crippen Calculated Property | |
| logPoct/wat | 3.629 | Crippen Calculated Property | |
| McVol | 277.250 | ml/mol | McGowan Calculated Property |
| Pc | 1787.88 | kPa | Joback Calculated Property |
| Inp | [2936.00; 2936.00] |
|
|
| Inp | 2936.00 | NIST | |
| Inp | 2936.00 | NIST | |
| Tboil | 1000.29 | K | Joback Calculated Property |
| Tc | 1243.39 | K | Joback Calculated Property |
| Tfus | 650.91 | K | Joback Calculated Property |
| Vc | 1.044 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [854.23; 895.64] | J/mol×K | [1000.29; 1243.39] |
|
| Cp,gas | 854.23 | J/mol×K | 1000.29 | Joback Calculated Property |
| Cp,gas | 864.22 | J/mol×K | 1040.81 | Joback Calculated Property |
| Cp,gas | 872.89 | J/mol×K | 1081.32 | Joback Calculated Property |
| Cp,gas | 880.30 | J/mol×K | 1121.84 | Joback Calculated Property |
| Cp,gas | 886.51 | J/mol×K | 1162.36 | Joback Calculated Property |
| Cp,gas | 891.60 | J/mol×K | 1202.87 | Joback Calculated Property |
| Cp,gas | 895.64 | J/mol×K | 1243.39 | Joback Calculated Property |
| η | [0.0000343; 0.0002524] | Pa×s | [650.91; 1000.29] |
|
| η | 0.0002524 | Pa×s | 650.91 | Joback Calculated Property |
| η | 0.0001579 | Pa×s | 709.14 | Joback Calculated Property |
| η | 0.0001060 | Pa×s | 767.37 | Joback Calculated Property |
| η | 0.0000753 | Pa×s | 825.60 | Joback Calculated Property |
| η | 0.0000559 | Pa×s | 883.83 | Joback Calculated Property |
| η | 0.0000431 | Pa×s | 942.06 | Joback Calculated Property |
| η | 0.0000343 | Pa×s | 1000.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, di(4-acetylphenyl) ester.
Sources
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