- InChI
- InChI=1S/C27H48O2/c1-6-7-8-9-10-11-12-13-14-21-27(28)29-23-22-26(5)20-16-19-25(4)18-15-17-24(2)3/h17,19,22H,6-16,18,20-21,23H2,1-5H3/b25-19+,26-22+
- InChI Key
- APTQJZOTWYEACL-HWHBRYGOSA-N
- Formula
- C27H48O2
- SMILES
-
CCCCCCCCCCCC(=O)OCC=C(C)CCC=C(
C)CCC=C(C)C - Molecular Weight1
- 404.67
- CAS
- 78368-58-8
- 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 | 0.9491 | Relay (... Calculated Property | |
| ΔfG° | 157.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -725.88 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 65.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.70 | kJ/mol | Relay (... Calculated Property |
| IE | 8.08 | eV | Relay (... Calculated Property |
| log10WS | -8.02 | Relay (... Calculated Property | |
| logPoct/wat | 8.870 | Crippen Calculated Property | |
| McVol | 385.830 | ml/mol | McGowan Calculated Property |
| Pc | 774.61 | kPa | Joback Calculated Property |
| Inp | [2804.70; 2804.70] |
|
|
| Inp | 2804.70 | NIST | |
| Inp | 2804.70 | NIST | |
| Tboil | 644.96 | K | Relay (... Calculated Property |
| Tc | 826.36 | K | Relay (... Calculated Property |
| Tfus | 256.33 | K | Relay (... Calculated Property |
| Vc | 1.404 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1269.42; 1385.26] | J/mol×K | [905.57; 1108.67] |
|
| Cp,gas | 1269.42 | J/mol×K | 905.57 | Joback Calculated Property |
| Cp,gas | 1291.08 | J/mol×K | 939.42 | Joback Calculated Property |
| Cp,gas | 1311.67 | J/mol×K | 973.27 | Joback Calculated Property |
| Cp,gas | 1331.30 | J/mol×K | 1007.12 | Joback Calculated Property |
| Cp,gas | 1350.04 | J/mol×K | 1040.97 | Joback Calculated Property |
| Cp,gas | 1368.00 | J/mol×K | 1074.82 | Joback Calculated Property |
| Cp,gas | 1385.26 | J/mol×K | 1108.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (2E,6E)-3,7,11-Trimethyldodeca-2,6,10-trien-1-yl dodecanoate.
Sources
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