- 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/h9-10,12-13,21,24H,5-8,11,14-20,22-23,25H2,1-4H3/b10-9-,13-12-,27-24+
- InChI Key
- SDVRIIKZIMWDSJ-BUWFTCIHSA-N
- Formula
- C28H48O2
- SMILES
-
CCCCCC=CCC=CCCCCCCCC(=O)OCC=C(
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 | 0.9189 | Relay (1.0) Calculated Property | |
| ΔfG° | 254.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -694.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 69.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.036 | Crippen Calculated Property | |
| McVol | 395.620 | ml/mol | McGowan Calculated Property |
| Pc | 753.91 | kPa | Joback Calculated Property |
| Inp | [2923.80; 2923.80] |
|
|
| Inp | 2923.80 | NIST | |
| Inp | 2923.80 | NIST | |
| Tboil | 655.55 | K | Relay (1.0) Calculated Property |
| Tc | 835.45 | K | Relay (1.0) Calculated Property |
| Tfus | 263.18 | K | Relay (1.0) Calculated Property |
| Vc | 1.397 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1307.25; 1426.17] | J/mol×K | [932.73; 1142.16] |
|
| Cp,gas | 1307.25 | J/mol×K | 932.73 | Joback Calculated Property |
| Cp,gas | 1329.12 | J/mol×K | 967.63 | Joback Calculated Property |
| Cp,gas | 1350.02 | J/mol×K | 1002.54 | Joback Calculated Property |
| Cp,gas | 1370.05 | J/mol×K | 1037.44 | Joback Calculated Property |
| Cp,gas | 1389.35 | J/mol×K | 1072.35 | Joback Calculated Property |
| Cp,gas | 1408.01 | J/mol×K | 1107.25 | Joback Calculated Property |
| Cp,gas | 1426.17 | J/mol×K | 1142.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (9Z,12Z)-(E)-3,7-Dimethylocta-2,6-dien-1-yl octadeca-9,12-dienoate.
Sources
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