- InChI
- InChI=1S/C23H36O5/c1-4-5-6-7-8-9-11-19(2)28-23(25)13-10-12-22(24)27-18-20-14-16-21(26-3)17-15-20/h14-17,19H,4-13,18H2,1-3H3
- InChI Key
- SVOWKKYSOATXGB-UHFFFAOYSA-N
- Formula
- C23H36O5
- SMILES
-
CCCCCCCCC(C)OC(=O)CCCC(=O)OCc1
ccc(OC)cc1 - Molecular Weight1
- 392.54
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical 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 | -1013.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.23 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.591 | Crippen Calculated Property | |
| McVol | 331.920 | ml/mol | McGowan Calculated Property |
| Inp | [2840.00; 2840.00] |
|
|
| Inp | 2840.00 | NIST | |
| Inp | 2840.00 | NIST | |
| Tboil | 664.42 | K | Relay (1.0) Calculated Property |
| Tc | 863.31 | K | Relay (1.0) Calculated Property |
| Tfus | 291.17 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [486.46; 1119.61] | 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 | 3.70110e+01 | |||
| Coefficient B | 1.88356e+00 | |||
| Coefficient C | -8.94560e-04 | |||
| Coefficient D | 9.36000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 486.46 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 595.56 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 694.28 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 782.92 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 861.77 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 931.13 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 991.30 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1042.57 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1085.25 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1119.61 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004960; 0.0000345] | Pa×s | [479.80; 769.42] |
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 | -1.46904e+01 | |||
| Coefficient B | 3.39763e+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. | 479.80 | |||
| Temperature range, max. | 769.42 | |||
| η | 0.0004960 | Pa×s | 479.80 | Calculated Property |
| η | 0.0003178 | Pa×s | 511.98 | Calculated Property |
| η | 0.0002146 | Pa×s | 544.16 | Calculated Property |
| η | 0.0001515 | Pa×s | 576.34 | Calculated Property |
| η | 0.0001109 | Pa×s | 608.52 | Calculated Property |
| η | 0.0000838 | Pa×s | 640.70 | Calculated Property |
| η | 0.0000650 | Pa×s | 672.88 | Calculated Property |
| η | 0.0000516 | Pa×s | 705.06 | Calculated Property |
| η | 0.0000418 | Pa×s | 737.24 | Calculated Property |
| η | 0.0000345 | Pa×s | 769.42 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, dec-2-yl 4-methoxybenzyl 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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