- InChI
- InChI=1S/C21H20O6/c1-14(22)16-6-10-18(11-7-16)26-20(24)4-3-5-21(25)27-19-12-8-17(9-13-19)15(2)23/h6-13H,3-5H2,1-2H3
- InChI Key
- ITYMCEKBTZGXGA-UHFFFAOYSA-N
- Formula
- C21H20O6
- SMILES
-
CC(=O)c1ccc(OC(=O)CCCC(=O)Oc2c
cc(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° | -394.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -741.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.02 | kJ/mol | Joback Calculated Property |
| log10WS | -5.49 | Crippen Calculated Property | |
| logPoct/wat | 3.773 | Crippen Calculated Property | |
| McVol | 277.250 | ml/mol | McGowan Calculated Property |
| Pc | 1759.49 | kPa | Joback Calculated Property |
| Inp | 3328.00 | NIST | |
| Tboil | 1003.52 | K | Joback Calculated Property |
| Tc | 1240.68 | K | Joback Calculated Property |
| Tfus | 648.49 | K | Joback Calculated Property |
| Vc | 1.056 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [853.61; 890.88] | J/mol×K | [1003.52; 1240.68] | 
|
| Cp,gas | 853.61 | J/mol×K | 1003.52 | Joback Calculated Property |
| Cp,gas | 863.27 | J/mol×K | 1043.05 | Joback Calculated Property |
| Cp,gas | 871.50 | J/mol×K | 1082.57 | Joback Calculated Property |
| Cp,gas | 878.34 | J/mol×K | 1122.10 | Joback Calculated Property |
| Cp,gas | 883.83 | J/mol×K | 1161.62 | Joback Calculated Property |
| Cp,gas | 888.00 | J/mol×K | 1201.15 | Joback Calculated Property |
| Cp,gas | 890.88 | J/mol×K | 1240.68 | Joback Calculated Property |
| η | [0.0000454; 0.0003036] | Pa×s | [648.49; 1003.52] |
|
| η | 0.0003036 | Pa×s | 648.49 | Joback Calculated Property |
| η | 0.0001938 | Pa×s | 707.66 | Joback Calculated Property |
| η | 0.0001326 | Pa×s | 766.83 | Joback Calculated Property |
| η | 0.0000958 | Pa×s | 826.00 | Joback Calculated Property |
| η | 0.0000723 | Pa×s | 885.18 | Joback Calculated Property |
| η | 0.0000565 | Pa×s | 944.35 | Joback Calculated Property |
| η | 0.0000454 | Pa×s | 1003.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, di(4-acetylphenyl) ester.
Sources
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