- 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
- 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).
- 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 |
|---|---|---|---|
| ω | 0.8798 | Relay (1.0) Calculated Property | |
| ΔfG° | -544.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -893.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.629 | Crippen Calculated Property | |
| McVol | 277.250 | ml/mol | McGowan Calculated Property |
| Pc | 1670.06 | kPa | Joback Calculated Property |
| Inp | [2936.00; 2936.00] |
|
|
| Inp | 2936.00 | NIST | |
| Inp | 2936.00 | NIST | |
| Tboil | 663.14 | K | Relay (1.0) Calculated Property |
| Tc | 957.43 | K | Relay (1.0) Calculated Property |
| Tfus | 400.00 | K | Relay (1.0) Calculated Property |
| Vc | 1.012 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [846.31; 886.20] | J/mol×K | [964.35; 1203.44] |
|
| Cp,gas | 846.31 | J/mol×K | 964.35 | Joback Calculated Property |
| Cp,gas | 856.32 | J/mol×K | 1004.20 | Joback Calculated Property |
| Cp,gas | 864.89 | J/mol×K | 1044.05 | Joback Calculated Property |
| Cp,gas | 872.09 | J/mol×K | 1083.89 | Joback Calculated Property |
| Cp,gas | 878.00 | J/mol×K | 1123.74 | Joback Calculated Property |
| Cp,gas | 882.68 | J/mol×K | 1163.59 | Joback Calculated Property |
| Cp,gas | 886.20 | J/mol×K | 1203.44 | Joback Calculated Property |
| η | [0.0000260; 0.0003051] | Pa×s | [591.25; 964.35] |
|
| η | 0.0003051 | Pa×s | 591.25 | Joback Calculated Property |
| η | 0.0001665 | Pa×s | 653.43 | Joback Calculated Property |
| η | 0.0001009 | Pa×s | 715.62 | Joback Calculated Property |
| η | 0.0000663 | Pa×s | 777.80 | Joback Calculated Property |
| η | 0.0000463 | Pa×s | 839.98 | Joback Calculated Property |
| η | 0.0000340 | Pa×s | 902.17 | Joback Calculated Property |
| η | 0.0000260 | Pa×s | 964.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, di(4-acetylphenyl) ester.
Sources
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