- InChI
- InChI=1S/C18H32O4/c1-6-8-9-11-16(7-2)22-18(20)13-10-12-17(19)21-15(5)14(3)4/h7,14-16H,2,6,8-13H2,1,3-5H3
- InChI Key
- FNLWZXMRLDNAGU-UHFFFAOYSA-N
- Formula
- C18H32O4
- SMILES
-
C=CC(CCCCC)OC(=O)CCCC(=O)OC(C)
C(C)C - Molecular Weight1
- 312.44
- 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 | -964.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.43 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.423 | Crippen Calculated Property | |
| McVol | 275.060 | ml/mol | McGowan Calculated Property |
| Inp | [1933.00; 1933.00] |
|
|
| Inp | 1933.00 | NIST | |
| Inp | 1933.00 | NIST | |
| Tboil | 587.34 | 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 | [409.25; 937.29] | 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 | 2.93070e+01 | |||
| Coefficient B | 1.60198e+00 | |||
| Coefficient C | -7.98700e-04 | |||
| Coefficient D | 1.04700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 409.25 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 500.72 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 583.22 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 657.08 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 722.63 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 780.19 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 830.11 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 872.71 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 908.33 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 937.29 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0049566; 0.0000832] | Pa×s | [330.52; 631.74] |
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 | -1.38786e+01 | |||
| Coefficient B | 2.83306e+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. | 330.52 | |||
| Temperature range, max. | 631.74 | |||
| η | 0.0049566 | Pa×s | 330.52 | Calculated Property |
| η | 0.0022537 | Pa×s | 363.99 | Calculated Property |
| η | 0.0011702 | Pa×s | 397.46 | Calculated Property |
| η | 0.0006727 | Pa×s | 430.93 | Calculated Property |
| η | 0.0004188 | Pa×s | 464.40 | Calculated Property |
| η | 0.0002779 | Pa×s | 497.87 | Calculated Property |
| η | 0.0001942 | Pa×s | 531.34 | Calculated Property |
| η | 0.0001416 | Pa×s | 564.81 | Calculated Property |
| η | 0.0001069 | Pa×s | 598.28 | Calculated Property |
| η | 0.0000832 | Pa×s | 631.74 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, oct-1-en-3-yl 3-methylbut-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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