- InChI
- InChI=1S/C28H48O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28(29)30-25-24-27(4)22-20-21-26(2)3/h6-7,9-10,12-13,21,27H,5,8,11,14-20,22-25H2,1-4H3/b7-6-,10-9-,13-12-
- InChI Key
- UQLOWLBIADBCAU-QNEBEIHSSA-N
- Formula
- C28H48O2
- SMILES
-
CCC=CCC=CCC=CCCCCCCCC(=O)OCCC(
C)CCC=C(C)C - Molecular Weight1
- 416.68
- 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 | 0.8937 | Relay (1.0) Calculated Property | |
| ΔfG° | 260.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -713.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 67.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.892 | Crippen Calculated Property | |
| McVol | 395.620 | ml/mol | McGowan Calculated Property |
| Pc | 755.15 | kPa | Joback Calculated Property |
| Inp | [2896.10; 2896.10] |
|
|
| Inp | 2896.10 | NIST | |
| Inp | 2896.10 | NIST | |
| Tboil | 656.34 | K | Relay (1.0) Calculated Property |
| Tc | 830.14 | K | Relay (1.0) Calculated Property |
| Tfus | 264.22 | K | Relay (1.0) Calculated Property |
| Vc | 1.366 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1308.01; 1426.20] | J/mol×K | [932.41; 1141.72] |
|
| Cp,gas | 1308.01 | J/mol×K | 932.41 | Joback Calculated Property |
| Cp,gas | 1329.80 | J/mol×K | 967.30 | Joback Calculated Property |
| Cp,gas | 1350.61 | J/mol×K | 1002.18 | Joback Calculated Property |
| Cp,gas | 1370.54 | J/mol×K | 1037.07 | Joback Calculated Property |
| Cp,gas | 1389.70 | J/mol×K | 1071.95 | Joback Calculated Property |
| Cp,gas | 1408.22 | J/mol×K | 1106.84 | Joback Calculated Property |
| Cp,gas | 1426.20 | J/mol×K | 1141.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (9Z,12Z,15Z)-3,7-Dimethyloct-6-en-1-yl octadeca-9,12,15-trienoate.
Sources
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