- InChI
- InChI=1S/C26H48O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26(27)28-23-22-25(4)20-18-19-24(2)3/h19,22H,5-18,20-21,23H2,1-4H3/b25-22-
- InChI Key
- CRFQQFDSKWNZIZ-LVWGJNHUSA-N
- Formula
- C26H48O2
- SMILES
-
CCCCCCCCCCCCCCCC(=O)OCC=C(C)CC
C=C(C)C - Molecular Weight1
- 392.66
- CAS
- 122569-17-9
- ω : Acentric Factor.
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 1.0047 | Relay (1.0) Calculated Property | |
| ΔfG° | 77.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -755.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 63.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.704 | Crippen Calculated Property | |
| McVol | 376.040 | ml/mol | McGowan Calculated Property |
| Pc | 791.71 | kPa | Joback Calculated Property |
| Inp | [2726.20; 2726.20] |
|
|
| Inp | 2726.20 | NIST | |
| Inp | 2726.20 | NIST | |
| Tboil | 637.90 | K | Relay (1.0) Calculated Property |
| Tc | 821.86 | K | Relay (1.0) Calculated Property |
| Tfus | 275.76 | K | Relay (1.0) Calculated Property |
| Vc | 1.404 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1232.21; 1346.15] | J/mol×K | [878.65; 1075.71] |
|
| Cp,gas | 1232.21 | J/mol×K | 878.65 | Joback Calculated Property |
| Cp,gas | 1253.79 | J/mol×K | 911.49 | Joback Calculated Property |
| Cp,gas | 1274.23 | J/mol×K | 944.34 | Joback Calculated Property |
| Cp,gas | 1293.62 | J/mol×K | 977.18 | Joback Calculated Property |
| Cp,gas | 1312.02 | J/mol×K | 1010.03 | Joback Calculated Property |
| Cp,gas | 1329.51 | J/mol×K | 1042.87 | Joback Calculated Property |
| Cp,gas | 1346.15 | J/mol×K | 1075.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-3,7-Dimethylocta-2,6-dien-1-yl palmitate.
Sources
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