- InChI
- InChI=1S/C23H34O5/c1-4-5-6-7-8-9-11-18(2)27-22(25)12-10-13-23(26)28-21-16-14-20(15-17-21)19(3)24/h14-18H,4-13H2,1-3H3
- InChI Key
- XWBUAKSNOZBJDB-UHFFFAOYSA-N
- Formula
- C23H34O5
- SMILES
-
CCCCCCCCC(C)OC(=O)CCCC(=O)Oc1c
cc(C(C)=O)cc1 - Molecular Weight1
- 390.51
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1044.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.01 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.647 | Crippen Calculated Property | |
| McVol | 327.620 | ml/mol | McGowan Calculated Property |
| Inp | [2901.00; 2901.00] |
|
|
| Inp | 2901.00 | NIST | |
| Inp | 2901.00 | NIST | |
| Tboil | 665.24 | K | Relay (1.0) Calculated Property |
| Tfus | 321.24 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [471.98; 1090.13] | 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 | 1.88700e+01 | |||
| Coefficient B | 1.91876e+00 | |||
| Coefficient C | -9.86860e-04 | |||
| Coefficient D | 1.39360e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 471.98 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 580.34 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 677.76 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 764.66 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 841.51 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 908.72 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 966.75 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1016.03 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1057.01 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1090.13 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0005415; 0.0000437] | Pa×s | [507.50; 796.25] |
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 | -1.44605e+01 | |||
| Coefficient B | 3.52173e+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. | 507.50 | |||
| Temperature range, max. | 796.25 | |||
| η | 0.0005415 | Pa×s | 507.50 | Calculated Property |
| η | 0.0003584 | Pa×s | 539.58 | Calculated Property |
| η | 0.0002485 | Pa×s | 571.67 | Calculated Property |
| η | 0.0001791 | Pa×s | 603.75 | Calculated Property |
| η | 0.0001335 | Pa×s | 635.83 | Calculated Property |
| η | 0.0001023 | Pa×s | 667.92 | Calculated Property |
| η | 0.0000803 | Pa×s | 700.00 | Calculated Property |
| η | 0.0000644 | Pa×s | 732.08 | Calculated Property |
| η | 0.0000526 | Pa×s | 764.17 | Calculated Property |
| η | 0.0000437 | Pa×s | 796.25 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, dec-2-yl 4-acetylphenyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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