- InChI
- InChI=1S/C31H56O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-25-31(32)33-27-26-30(5)24-20-23-29(4)22-19-21-28(2)3/h21,23,26H,6-20,22,24-25,27H2,1-5H3/b29-23+,30-26+
- InChI Key
- JXOGISMTOCGSHX-GDHXXOHCSA-N
- Formula
- C31H56O2
- SMILES
-
CCCCCCCCCCCCCCCC(=O)OCC=C(C)CC
C=C(C)CCC=C(C)C - Molecular Weight1
- 460.78
- CAS
- 157501-12-7
- 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° | 191.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -605.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 75.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.87 | kJ/mol | Joback Calculated Property |
| log10WS | -11.22 | Crippen Calculated Property | |
| logPoct/wat | 10.430 | Crippen Calculated Property | |
| McVol | 442.190 | ml/mol | McGowan Calculated Property |
| Pc | 632.25 | kPa | Joback Calculated Property |
| Inp | [3204.10; 3204.10] |
|
|
| Inp | 3204.10 | NIST | |
| Inp | 3204.10 | NIST | |
| Tboil | 997.09 | K | Joback Calculated Property |
| Tc | 1229.34 | K | Joback Calculated Property |
| Tfus | 454.17 | K | Joback Calculated Property |
| Vc | 1.738 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1531.69; 1665.60] | J/mol×K | [997.09; 1229.34] |
|
| Cp,gas | 1531.69 | J/mol×K | 997.09 | Joback Calculated Property |
| Cp,gas | 1556.64 | J/mol×K | 1035.80 | Joback Calculated Property |
| Cp,gas | 1580.33 | J/mol×K | 1074.51 | Joback Calculated Property |
| Cp,gas | 1602.92 | J/mol×K | 1113.22 | Joback Calculated Property |
| Cp,gas | 1624.56 | J/mol×K | 1151.93 | Joback Calculated Property |
| Cp,gas | 1645.40 | J/mol×K | 1190.63 | Joback Calculated Property |
| Cp,gas | 1665.60 | J/mol×K | 1229.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,7,11-trimethyldodeca-2,6,10-trien-1-yl palmitate.
Sources
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