- InChI
- InChI=1S/C20H36O4/c1-3-4-5-6-7-8-12-17(2)23-19(21)15-11-16-20(22)24-18-13-9-10-14-18/h17-18H,3-16H2,1-2H3
- InChI Key
- QHSDXIQEILYDNR-UHFFFAOYSA-N
- Formula
- C20H36O4
- SMILES
-
CCCCCCCCC(C)OC(=O)CCCC(=O)OC1C
CCC1 - Molecular Weight1
- 340.50
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1055.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.12 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.325 | Crippen Calculated Property | |
| McVol | 296.680 | ml/mol | McGowan Calculated Property |
| Inp | [2308.00; 2308.00] |
|
|
| Inp | 2308.00 | NIST | |
| Inp | 2308.00 | NIST | |
| Tboil | 622.31 | K | Relay (1.0) Calculated Property |
| Tfus | 273.13 | 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 | [428.89; 1051.20] | 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 | -2.66400e+01 | |||
| Coefficient B | 1.93184e+00 | |||
| Coefficient C | -1.00560e-03 | |||
| Coefficient D | 1.51600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 428.89 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 537.66 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 635.40 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 722.59 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 799.73 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 867.27 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 925.71 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 975.53 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1017.20 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1051.20 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0022382; 0.0000995] | Pa×s | [395.72; 684.18] |
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 | -1.34856e+01 | |||
| Coefficient B | 2.92180e+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. | 395.72 | |||
| Temperature range, max. | 684.18 | |||
| η | 0.0022382 | Pa×s | 395.72 | Calculated Property |
| η | 0.0012872 | Pa×s | 427.77 | Calculated Property |
| η | 0.0007996 | Pa×s | 459.82 | Calculated Property |
| η | 0.0005285 | Pa×s | 491.87 | Calculated Property |
| η | 0.0003675 | Pa×s | 523.93 | Calculated Property |
| η | 0.0002664 | Pa×s | 555.98 | Calculated Property |
| η | 0.0002001 | Pa×s | 588.03 | Calculated Property |
| η | 0.0001548 | Pa×s | 620.08 | Calculated Property |
| η | 0.0001228 | Pa×s | 652.13 | Calculated Property |
| η | 0.0000995 | Pa×s | 684.18 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, cyclopentyl dec-2-yl 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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