![[R-[R*,R*-(E)]]-3,7,11,15-tetramethylhexadec-2-enyl palmitate](/cid/91-684-2/R-R-R-E-3-7-11-15-tetramethylhexadec-2-enyl-palmitate.png "[R-[R*,R*-(E)]]-3,7,11,15-tetramethylhexadec-2-enyl palmitate")
- InChI
- InChI=1S/C36H70O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-29-36(37)38-31-30-35(6)28-22-27-34(5)26-21-25-33(4)24-20-23-32(2)3/h30,32-34H,7-29,31H2,1-6H3/b35-30+
- InChI Key
- JDFCEOMVLWWUMP-WUZYOQQESA-N
- Formula
- C36H70O2
- SMILES
-
CCCCCCCCCCCCCCCC(=O)OCC=C(C)CC
CC(C)CCCC(C)CCCC(C)C - Molecular Weight1
- 534.94
- CAS
- 53950-58-6
- Other Names
-
- Phytyl palmitate
- 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° | 82.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -939.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 80.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.76 | kJ/mol | Joback Calculated Property |
| log10WS | -12.88 | Crippen Calculated Property | |
| logPoct/wat | 12.396 | Crippen Calculated Property | |
| McVol | 521.240 | ml/mol | McGowan Calculated Property |
| Pc | 483.67 | kPa | Joback Calculated Property |
| Inp | [3567.70; 3567.70] |
|
|
| Inp | 3567.70 | NIST | |
| Inp | 3567.70 | NIST | |
| Tboil | 1102.09 | K | Joback Calculated Property |
| Tc | 1407.81 | K | Joback Calculated Property |
| Tfus | 503.60 | K | Joback Calculated Property |
| Vc | 2.038 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1926.89; 2081.05] | J/mol×K | [1102.09; 1407.81] |
|
| Cp,gas | 1926.89 | J/mol×K | 1102.09 | Joback Calculated Property |
| Cp,gas | 1958.18 | J/mol×K | 1153.04 | Joback Calculated Property |
| Cp,gas | 1986.81 | J/mol×K | 1204.00 | Joback Calculated Property |
| Cp,gas | 2013.10 | J/mol×K | 1254.95 | Joback Calculated Property |
| Cp,gas | 2037.35 | J/mol×K | 1305.90 | Joback Calculated Property |
| Cp,gas | 2059.90 | J/mol×K | 1356.86 | Joback Calculated Property |
| Cp,gas | 2081.05 | J/mol×K | 1407.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to [R-[R*,R*-(E)]]-3,7,11,15-tetramethylhexadec-2-enyl palmitate.
Sources
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