- InChI
- InChI=1S/C22H40O4/c1-4-5-6-7-8-9-13-18(2)25-21(23)16-12-17-22(24)26-19(3)20-14-10-11-15-20/h18-20H,4-17H2,1-3H3
- InChI Key
- JLJSNSJHFUHRMS-UHFFFAOYSA-N
- Formula
- C22H40O4
- SMILES
-
CCCCCCCCC(C)OC(=O)CCCC(=O)OC(C
)C1CCCC1 - Molecular Weight1
- 368.56
- 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).
- 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 | -1101.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.53 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.961 | Crippen Calculated Property | |
| McVol | 324.860 | ml/mol | McGowan Calculated Property |
| Inp | [2424.00; 2424.00] |
|
|
| Inp | 2424.00 | NIST | |
| Inp | 2424.00 | NIST | |
| Tboil | 632.89 | K | Relay (1.0) Calculated Property |
| Tc | 829.23 | K | Relay (1.0) Calculated Property |
| Tfus | 268.53 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [471.00; 1154.92] | 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 | -3.01400e+01 | |||
| Coefficient B | 2.12776e+00 | |||
| Coefficient C | -1.11760e-03 | |||
| Coefficient D | 1.74900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 471.00 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 590.48 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 697.80 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 793.50 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 878.15 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 952.30 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1016.50 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1071.30 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1117.25 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1154.92 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0021719; 0.0000705] | Pa×s | [403.26; 718.88] |
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 | -1.39384e+01 | |||
| Coefficient B | 3.14794e+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. | 403.26 | |||
| Temperature range, max. | 718.88 | |||
| η | 0.0021719 | Pa×s | 403.26 | Calculated Property |
| η | 0.0011630 | Pa×s | 438.33 | Calculated Property |
| η | 0.0006832 | Pa×s | 473.40 | Calculated Property |
| η | 0.0004319 | Pa×s | 508.47 | Calculated Property |
| η | 0.0002897 | Pa×s | 543.53 | Calculated Property |
| η | 0.0002039 | Pa×s | 578.60 | Calculated Property |
| η | 0.0001494 | Pa×s | 613.67 | Calculated Property |
| η | 0.0001132 | Pa×s | 648.74 | Calculated Property |
| η | 0.0000883 | Pa×s | 683.81 | Calculated Property |
| η | 0.0000705 | Pa×s | 718.88 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 1-cyclopentylethyl 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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