- InChI
- InChI=1S/C33H60O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-33(34)35-29-28-32(5)26-22-25-31(4)24-21-23-30(2)3/h23,25,28H,6-22,24,26-27,29H2,1-5H3/b31-25+,32-28+
- InChI Key
- YQPQEVWUUVTRQA-XPYMXISMSA-N
- Formula
- C33H60O2
- SMILES
-
CCCCCCCCCCCCCCCCCC(=O)OCC=C(C)
CCC=C(C)CCC=C(C)C - Molecular Weight1
- 488.83
- CAS
- 69624-82-4
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | 208.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -646.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 80.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.32 | kJ/mol | Joback Calculated Property |
| log10WS | -12.06 | Crippen Calculated Property | |
| logPoct/wat | 11.210 | Crippen Calculated Property | |
| McVol | 470.370 | ml/mol | McGowan Calculated Property |
| Pc | 575.36 | kPa | Joback Calculated Property |
| Inp | [3446.50; 3446.50] |
|
|
| Inp | 3446.50 | NIST | |
| Inp | 3446.50 | NIST | |
| Tboil | 1042.85 | K | Joback Calculated Property |
| Tc | 1297.20 | K | Joback Calculated Property |
| Tfus | 476.71 | K | Joback Calculated Property |
| Vc | 1.851 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1666.03; 1813.45] | J/mol×K | [1042.85; 1297.20] |
|
| Cp,gas | 1666.03 | J/mol×K | 1042.85 | Joback Calculated Property |
| Cp,gas | 1693.36 | J/mol×K | 1085.24 | Joback Calculated Property |
| Cp,gas | 1719.29 | J/mol×K | 1127.63 | Joback Calculated Property |
| Cp,gas | 1744.06 | J/mol×K | 1170.02 | Joback Calculated Property |
| Cp,gas | 1767.87 | J/mol×K | 1212.42 | Joback Calculated Property |
| Cp,gas | 1790.93 | J/mol×K | 1254.81 | Joback Calculated Property |
| Cp,gas | 1813.45 | J/mol×K | 1297.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (2E,6E)-3,7,11-Trimethyldodeca-2,6,10-trien-1-yl stearate.
Sources
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