- InChI
- InChI=1S/C18H30O4/c1-5-8-9-12-15(4)21-17(19)13-10-14-18(20)22-16(7-3)11-6-2/h6-7,15-16H,2-3,5,8-14H2,1,4H3
- InChI Key
- FJDNFFNUHAKPIH-UHFFFAOYSA-N
- Formula
- C18H30O4
- SMILES
-
C=CCC(C=C)OC(=O)CCCC(=O)OC(C)C
CCCC - Molecular Weight1
- 310.43
- 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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -878.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.16 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.343 | Crippen Calculated Property | |
| McVol | 270.760 | ml/mol | McGowan Calculated Property |
| Inp | [1910.00; 1910.00] |
|
|
| Inp | 1910.00 | NIST | |
| Inp | 1910.00 | NIST | |
| Tboil | 587.68 | 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 | [399.76; 908.24] | 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 | 2.79980e+01 | |||
| Coefficient B | 1.57604e+00 | |||
| Coefficient C | -8.18400e-04 | |||
| Coefficient D | 1.22600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 399.76 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 488.56 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 568.39 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 639.62 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 702.65 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 757.85 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 805.63 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 846.36 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 880.43 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 908.24 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0034403; 0.0000935] | Pa×s | [343.76; 629.52] |
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 | -1.36140e+01 | |||
| Coefficient B | 2.73008e+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. | 343.76 | |||
| Temperature range, max. | 629.52 | |||
| η | 0.0034403 | Pa×s | 343.76 | Calculated Property |
| η | 0.0017577 | Pa×s | 375.51 | Calculated Property |
| η | 0.0009972 | Pa×s | 407.26 | Calculated Property |
| η | 0.0006141 | Pa×s | 439.01 | Calculated Property |
| η | 0.0004037 | Pa×s | 470.77 | Calculated Property |
| η | 0.0002799 | Pa×s | 502.52 | Calculated Property |
| η | 0.0002026 | Pa×s | 534.27 | Calculated Property |
| η | 0.0001521 | Pa×s | 566.02 | Calculated Property |
| η | 0.0001178 | Pa×s | 597.77 | Calculated Property |
| η | 0.0000935 | Pa×s | 629.52 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hexa-1,5-dien-3-yl hept-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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