- 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [376.08; 853.86] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.01230e+01 | |||
| Coefficient B | 1.55644e+00 | |||
| Coefficient C | -8.20320e-04 | |||
| Coefficient D | 1.07620e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 376.08 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 462.85 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 540.41 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 609.09 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 669.23 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 721.18 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 765.28 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 801.87 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 831.28 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 853.86 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0003551; 0.0000593] | Pa×s | [588.83; 840.04] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.39279e+01 | |||
| Coefficient B | 3.52394e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 588.83 | |||
| Temperature range, max. | 840.04 | |||
| η | 0.0003551 | Pa×s | 588.83 | Calculated Property |
| η | 0.0002708 | Pa×s | 616.74 | Calculated Property |
| η | 0.0002115 | Pa×s | 644.65 | Calculated Property |
| η | 0.0001685 | Pa×s | 672.57 | Calculated Property |
| η | 0.0001368 | Pa×s | 700.48 | Calculated Property |
| η | 0.0001128 | Pa×s | 728.39 | Calculated Property |
| η | 0.0000944 | Pa×s | 756.30 | Calculated Property |
| η | 0.0000799 | Pa×s | 784.21 | Calculated Property |
| η | 0.0000685 | Pa×s | 812.13 | Calculated Property |
| η | 0.0000593 | Pa×s | 840.04 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, di(4-acetylphenyl) ester.
Sources
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