- InChI
- InChI=1S/C22H26O4/c1-3-17-9-7-11-19(15-17)25-21(23)13-5-6-14-22(24)26-20-12-8-10-18(4-2)16-20/h7-12,15-16H,3-6,13-14H2,1-2H3
- InChI Key
- OLPPIWPMBBBPOB-UHFFFAOYSA-N
- Formula
- C22H26O4
- SMILES
-
CCc1cccc(OC(=O)CCCCC(=O)Oc2ccc
c(CC)c2)c1 - Molecular Weight1
- 354.45
- 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).
- 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 | 0.9730 | Relay (1.0) Calculated Property | |
| ΔfG° | -280.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -661.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.18 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.883 | Crippen Calculated Property | |
| McVol | 288.200 | ml/mol | McGowan Calculated Property |
| Pc | 1384.02 | kPa | Joback Calculated Property |
| Inp | [2788.00; 2788.00] |
|
|
| Inp | 2788.00 | NIST | |
| Inp | 2788.00 | NIST | |
| Tboil | 664.28 | K | Relay (1.0) Calculated Property |
| Tc | 912.06 | K | Relay (1.0) Calculated Property |
| Tfus | 318.74 | K | Relay (1.0) Calculated Property |
| Vc | 1.067 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [395.45; 927.42] | 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 | -5.50400e+00 | |||
| Coefficient B | 1.70744e+00 | |||
| Coefficient C | -9.12120e-04 | |||
| Coefficient D | 1.37600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 395.45 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 490.48 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 575.52 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 651.00 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 717.35 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 775.00 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 824.40 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 865.98 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 900.18 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 927.42 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004930; 0.0000551] | Pa×s | [500.24; 770.51] |
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 | -1.38634e+01 | |||
| Coefficient B | 3.12572e+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. | 500.24 | |||
| Temperature range, max. | 770.51 | |||
| η | 0.0004930 | Pa×s | 500.24 | Calculated Property |
| η | 0.0003461 | Pa×s | 530.27 | Calculated Property |
| η | 0.0002523 | Pa×s | 560.30 | Calculated Property |
| η | 0.0001900 | Pa×s | 590.33 | Calculated Property |
| η | 0.0001470 | Pa×s | 620.36 | Calculated Property |
| η | 0.0001165 | Pa×s | 650.39 | Calculated Property |
| η | 0.0000942 | Pa×s | 680.42 | Calculated Property |
| η | 0.0000776 | Pa×s | 710.45 | Calculated Property |
| η | 0.0000649 | Pa×s | 740.48 | Calculated Property |
| η | 0.0000551 | Pa×s | 770.51 | Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, di(3-ethylphenyl) ester.
Sources
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