- InChI
- InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54H,4-24,31-53H2,1-3H3/b28-25+,29-26+,30-27+
- InChI Key
- PHYFQTYBJUILEZ-WUOFIQDXSA-N
- Formula
- C57H104O6
- SMILES
-
CCCCCCCCC=CCCCCCCCC(=O)OCC(COC
(=O)CCCCCCCC=CCCCCCCCC)OC(=O)C CCCCCCC=CCCCCCCCC - Molecular Weight1
- 885.43
- CAS
- 537-39-3
- Other Names
-
- 1,2,3-propanetriyl tris[(E)-9-octadecenoate]
- trielaidin
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 2.1276 | Relay (1.0) Calculated Property | |
| ΔfG° | -34.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1976.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 157.08 | kJ/mol | Investigation of the Thermal Behaviour of Trielaidin Between 10 K and 360 K |
| ΔvapH° | 242.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -14.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 18.097 | Crippen Calculated Property | |
| McVol | 823.410 | ml/mol | McGowan Calculated Property |
| Pc | 245.06 | kPa | Joback Calculated Property |
| Tboil | 874.44 | K | Relay (1.0) Calculated Property |
| Tc | 1003.81 | K | Relay (1.0) Calculated Property |
| Tfus | 313.09 | K | Relay (1.0) Calculated Property |
| Vc | 3.032 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [3418.56; 18829.83] | J/mol×K | [1744.47; 4418.33] | 
|
| Cp,gas | 3418.56 | J/mol×K | 1744.47 | Joback Calculated Property |
| Cp,gas | 3789.05 | J/mol×K | 2190.11 | Joback Calculated Property |
| Cp,gas | 4601.71 | J/mol×K | 2635.76 | Joback Calculated Property |
| Cp,gas | 6184.33 | J/mol×K | 3081.40 | Joback Calculated Property |
| Cp,gas | 8864.70 | J/mol×K | 3527.04 | Joback Calculated Property |
| Cp,gas | 12970.60 | J/mol×K | 3972.68 | Joback Calculated Property |
| Cp,gas | 18829.83 | J/mol×K | 4418.33 | Joback Calculated Property |
| η | [4.4262050e-08; 0.0000014] | Pa×s | [918.39; 1744.47] |
|
| η | 0.0000014 | Pa×s | 918.39 | Joback Calculated Property |
| η | 0.0000006 | Pa×s | 1056.07 | Joback Calculated Property |
| η | 0.0000003 | Pa×s | 1193.75 | Joback Calculated Property |
| η | 0.0000001 | Pa×s | 1331.43 | Joback Calculated Property |
| η | 9.1401528e-08 | Pa×s | 1469.11 | Joback Calculated Property |
| η | 6.1659533e-08 | Pa×s | 1606.79 | Joback Calculated Property |
| η | 4.4262050e-08 | Pa×s | 1744.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 9-Octadecenoic acid, 1,2,3-propanetriyl ester, (E,E,E)-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Investigation of the Thermal Behaviour of Trielaidin Between 10 K and 360 K
- Joback Method
- McGowan Method
- NIST Webbook
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