- InChI
- InChI=1S/C15H20O7/c1-4-7-20-12(16)10-15(19,14(18)22-9-6-3)11-13(17)21-8-5-2/h4-6,19H,1-3,7-11H2
- InChI Key
- PLCFYBDYBCOLSP-UHFFFAOYSA-N
- Formula
- C15H20O7
- SMILES
-
C=CCOC(=O)CC(O)(CC(=O)OCC=C)C(
=O)OCC=C - Molecular Weight1
- 312.32
- Other Names
-
- triallyl citrate
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1185.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.50 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.685 | Crippen Calculated Property | |
| McVol | 237.500 | ml/mol | McGowan Calculated Property |
| Tboil | 617.32 | 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, 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 | [695.13; 749.09] | J/mol×K | [796.45; 984.91] | 
|
| Cp,gas | 695.13 | J/mol×K | 796.45 | Joback Calculated Property |
| Cp,gas | 706.30 | J/mol×K | 827.86 | Joback Calculated Property |
| Cp,gas | 716.56 | J/mol×K | 859.27 | Joback Calculated Property |
| Cp,gas | 725.95 | J/mol×K | 890.68 | Joback Calculated Property |
| Cp,gas | 734.48 | J/mol×K | 922.09 | Joback Calculated Property |
| Cp,gas | 742.19 | J/mol×K | 953.50 | Joback Calculated Property |
| Cp,gas | 749.09 | J/mol×K | 984.91 | Joback Calculated Property |
| η | [0.0000092; 0.0009583] | Pa×s | [443.76; 796.45] |
|
| η | 0.0009583 | Pa×s | 443.76 | Joback Calculated Property |
| η | 0.0002808 | Pa×s | 502.54 | Joback Calculated Property |
| η | 0.0001064 | Pa×s | 561.32 | Joback Calculated Property |
| η | 0.0000485 | Pa×s | 620.11 | Joback Calculated Property |
| η | 0.0000253 | Pa×s | 678.89 | Joback Calculated Property |
| η | 0.0000146 | Pa×s | 737.67 | Joback Calculated Property |
| η | 0.0000092 | Pa×s | 796.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Citric acid, triallyl 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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