- 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
- 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 | 1.0089 | Relay (1.0) Calculated Property | |
| ΔfG° | -547.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -897.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 120.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.773 | Crippen Calculated Property | |
| McVol | 277.250 | ml/mol | McGowan Calculated Property |
| Pc | 1644.42 | kPa | Joback Calculated Property |
| Inp | [3328.00; 3328.00] |
|
|
| Inp | 3328.00 | NIST | |
| Inp | 3328.00 | NIST | |
| Tboil | 687.82 | K | Relay (1.0) Calculated Property |
| Tc | 964.62 | K | Relay (1.0) Calculated Property |
| Tfus | 407.63 | K | Relay (1.0) Calculated Property |
| Vc | 1.015 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [845.60; 882.56] | J/mol×K | [967.58; 1200.06] |
|
| Cp,gas | 845.60 | J/mol×K | 967.58 | Joback Calculated Property |
| Cp,gas | 855.35 | J/mol×K | 1006.33 | Joback Calculated Property |
| Cp,gas | 863.62 | J/mol×K | 1045.07 | Joback Calculated Property |
| Cp,gas | 870.44 | J/mol×K | 1083.82 | Joback Calculated Property |
| Cp,gas | 875.84 | J/mol×K | 1122.56 | Joback Calculated Property |
| Cp,gas | 879.87 | J/mol×K | 1161.31 | Joback Calculated Property |
| Cp,gas | 882.56 | J/mol×K | 1200.06 | Joback Calculated Property |
| η | [0.0000341; 0.0003551] | Pa×s | [588.83; 967.58] |
|
| η | 0.0003551 | Pa×s | 588.83 | Joback Calculated Property |
| η | 0.0001989 | Pa×s | 651.96 | Joback Calculated Property |
| η | 0.0001234 | Pa×s | 715.08 | Joback Calculated Property |
| η | 0.0000828 | Pa×s | 778.20 | Joback Calculated Property |
| η | 0.0000589 | Pa×s | 841.33 | Joback Calculated Property |
| η | 0.0000440 | Pa×s | 904.45 | Joback Calculated Property |
| η | 0.0000341 | Pa×s | 967.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, di(4-acetylphenyl) ester.
Sources
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