- 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.
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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [784.46; 872.63] | J/mol×K | [720.36; 899.32] |
|
| Cp,gas | 784.46 | J/mol×K | 720.36 | Joback Calculated Property |
| Cp,gas | 801.50 | J/mol×K | 750.19 | Joback Calculated Property |
| Cp,gas | 817.58 | J/mol×K | 780.01 | Joback Calculated Property |
| Cp,gas | 832.71 | J/mol×K | 809.84 | Joback Calculated Property |
| Cp,gas | 846.92 | J/mol×K | 839.67 | Joback Calculated Property |
| Cp,gas | 860.22 | J/mol×K | 869.49 | Joback Calculated Property |
| Cp,gas | 872.63 | J/mol×K | 899.32 | Joback Calculated Property |
| η | [0.0000541; 0.0034403] | Pa×s | [343.76; 720.36] |
|
| η | 0.0034403 | Pa×s | 343.76 | Joback Calculated Property |
| η | 0.0010094 | Pa×s | 406.53 | Joback Calculated Property |
| η | 0.0004111 | Pa×s | 469.29 | Joback Calculated Property |
| η | 0.0002070 | Pa×s | 532.06 | Joback Calculated Property |
| η | 0.0001204 | Pa×s | 594.83 | Joback Calculated Property |
| η | 0.0000777 | Pa×s | 657.59 | Joback Calculated Property |
| η | 0.0000541 | Pa×s | 720.36 | Joback 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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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