- InChI
- InChI=1S/C21H36O4/c1-4-6-7-8-9-10-11-12-13-14-18-24-20(22)16-15-17-21(23)25-19(3)5-2/h5,13-14,19H,2,4,6-12,15-18H2,1,3H3/b14-13+
- InChI Key
- VWHMBRMQYHRSRX-BUHFOSPRSA-N
- Formula
- C21H36O4
- SMILES
-
C=CC(C)OC(=O)CCCC(=O)OCC=CCCCC
CCCCC - Molecular Weight1
- 352.51
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -943.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.67 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.514 | Crippen Calculated Property | |
| McVol | 313.030 | ml/mol | McGowan Calculated Property |
| Inp | [2361.00; 2361.00] |
|
|
| Inp | 2361.00 | NIST | |
| Inp | 2361.00 | NIST | |
| Tboil | 622.08 | K | Relay (1.0) Calculated Property |
| Tc | 785.83 | K | Relay (1.0) Calculated Property |
| Tfus | 258.41 | 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [961.55; 1052.84] | J/mol×K | [796.92; 980.71] |
|
| Cp,gas | 961.55 | J/mol×K | 796.92 | Joback Calculated Property |
| Cp,gas | 979.33 | J/mol×K | 827.55 | Joback Calculated Property |
| Cp,gas | 996.05 | J/mol×K | 858.18 | Joback Calculated Property |
| Cp,gas | 1011.72 | J/mol×K | 888.82 | Joback Calculated Property |
| Cp,gas | 1026.39 | J/mol×K | 919.45 | Joback Calculated Property |
| Cp,gas | 1040.08 | J/mol×K | 950.08 | Joback Calculated Property |
| Cp,gas | 1052.84 | J/mol×K | 980.71 | Joback Calculated Property |
| η | [0.0000308; 0.0016216] | Pa×s | [389.25; 796.92] |
|
| η | 0.0016216 | Pa×s | 389.25 | Joback Calculated Property |
| η | 0.0005127 | Pa×s | 457.19 | Joback Calculated Property |
| η | 0.0002184 | Pa×s | 525.14 | Joback Calculated Property |
| η | 0.0001131 | Pa×s | 593.09 | Joback Calculated Property |
| η | 0.0000670 | Pa×s | 661.03 | Joback Calculated Property |
| η | 0.0000438 | Pa×s | 728.98 | Joback Calculated Property |
| η | 0.0000308 | Pa×s | 796.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, but-3-en-2-yl 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
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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