- InChI
- InChI=1S/C24H42O4/c1-3-4-5-6-7-8-9-10-11-14-20-27-23(25)18-15-19-24(26)28-21(2)22-16-12-13-17-22/h11,14,21-22H,3-10,12-13,15-20H2,1-2H3/b14-11+
- InChI Key
- QVGQCOSZJYIANS-SDNWHVSQSA-N
- Formula
- C24H42O4
- SMILES
-
CCCCCCCCC/C=C/COC(=O)CCCC(=O)O
C(C)C1CCCC1 - Molecular Weight1
- 394.60
- 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 | -1029.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.97 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.519 | Crippen Calculated Property | |
| McVol | 348.740 | ml/mol | McGowan Calculated Property |
| Inp | [2750.00; 2750.00] |
|
|
| Inp | 2750.00 | NIST | |
| Inp | 2750.00 | NIST | |
| Tboil | 653.31 | K | Relay (1.0) Calculated Property |
| Tc | 854.80 | K | Relay (1.0) Calculated Property |
| Tfus | 267.02 | 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 | [499.74; 1226.98] | 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 | -4.44580e+01 | |||
| Coefficient B | 2.33184e+00 | |||
| Coefficient C | -1.30700e-03 | |||
| Coefficient D | 2.46600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 499.74 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 627.83 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 742.28 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 843.87 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 933.37 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1011.58 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1079.26 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1137.20 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1186.18 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1226.98 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0012253; 0.0000499] | Pa×s | [435.72; 758.99] |
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 | -1.42201e+01 | |||
| Coefficient B | 3.27468e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 435.72 | |||
| Temperature range, max. | 758.99 | |||
| η | 0.0012253 | Pa×s | 435.72 | Calculated Property |
| η | 0.0006913 | Pa×s | 471.64 | Calculated Property |
| η | 0.0004229 | Pa×s | 507.56 | Calculated Property |
| η | 0.0002761 | Pa×s | 543.48 | Calculated Property |
| η | 0.0001900 | Pa×s | 579.39 | Calculated Property |
| η | 0.0001366 | Pa×s | 615.31 | Calculated Property |
| η | 0.0001019 | Pa×s | 651.23 | Calculated Property |
| η | 0.0000783 | Pa×s | 687.15 | Calculated Property |
| η | 0.0000618 | Pa×s | 723.07 | Calculated Property |
| η | 0.0000499 | Pa×s | 758.99 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 1-cyclopentylethyl dodec-2-en-1-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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