- InChI
- InChI=1S/C23H36O4/c1-5-6-7-8-9-10-14-19(3)26-22(24)16-12-17-23(25)27-21-15-11-13-18(2)20(21)4/h11,13,15,19H,5-10,12,14,16-17H2,1-4H3
- InChI Key
- UQXXGQGSTRDPMD-UHFFFAOYSA-N
- Formula
- C23H36O4
- SMILES
-
CCCCCCCCC(C)OC(=O)CCCC(=O)Oc1c
ccc(C)c1C - Molecular Weight1
- 376.53
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -930.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.82 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.061 | Crippen Calculated Property | |
| McVol | 326.050 | ml/mol | McGowan Calculated Property |
| Inp | [2683.00; 2683.00] |
|
|
| Inp | 2683.00 | NIST | |
| Inp | 2683.00 | NIST | |
| Tboil | 648.69 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, 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 | [473.60; 1098.07] | 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 | 2.58100e+01 | |||
| Coefficient B | 1.88728e+00 | |||
| Coefficient C | -9.38520e-04 | |||
| Coefficient D | 1.23500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 473.60 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 581.49 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 678.84 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 766.05 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 843.50 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 911.58 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 970.69 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1021.21 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1063.54 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1098.07 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0006155; 0.0000460] | Pa×s | [470.09; 755.86] |
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 | -1.42520e+01 | |||
| Coefficient B | 3.22428e+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. | 470.09 | |||
| Temperature range, max. | 755.86 | |||
| η | 0.0006155 | Pa×s | 470.09 | Calculated Property |
| η | 0.0003988 | Pa×s | 501.84 | Calculated Property |
| η | 0.0002721 | Pa×s | 533.59 | Calculated Property |
| η | 0.0001938 | Pa×s | 565.35 | Calculated Property |
| η | 0.0001431 | Pa×s | 597.10 | Calculated Property |
| η | 0.0001089 | Pa×s | 628.85 | Calculated Property |
| η | 0.0000851 | Pa×s | 660.60 | Calculated Property |
| η | 0.0000681 | Pa×s | 692.36 | Calculated Property |
| η | 0.0000555 | Pa×s | 724.11 | Calculated Property |
| η | 0.0000460 | Pa×s | 755.86 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, dec-2-yl 2,3-dimethylphenyl 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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