- InChI
- InChI=1S/C28H50O2/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/h9-10,12-13,21,27H,5-8,11,14-20,22-25H2,1-4H3/b10-9-,13-12-
- InChI Key
- RHFFIMUAJDREAJ-UTJQPWESSA-N
- Formula
- C28H50O2
- SMILES
-
CCCCCC=CCC=CCCCCCCCC(=O)OCCC(C
)CCC=C(C)C - Molecular Weight1
- 418.70
- 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 | 0.9689 | Relay (1.0) Calculated Property | |
| ΔfG° | 180.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -771.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 66.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 120.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.116 | Crippen Calculated Property | |
| McVol | 399.920 | ml/mol | McGowan Calculated Property |
| Pc | 734.03 | kPa | Joback Calculated Property |
| Inp | [2887.80; 2887.80] |
|
|
| Inp | 2887.80 | NIST | |
| Inp | 2887.80 | NIST | |
| Tboil | 657.05 | K | Relay (1.0) Calculated Property |
| Tc | 832.85 | K | Relay (1.0) Calculated Property |
| Tfus | 263.37 | K | Relay (1.0) Calculated Property |
| Vc | 1.425 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1335.25; 1454.01] | J/mol×K | [928.25; 1137.22] |
|
| Cp,gas | 1335.25 | J/mol×K | 928.25 | Joback Calculated Property |
| Cp,gas | 1357.53 | J/mol×K | 963.08 | Joback Calculated Property |
| Cp,gas | 1378.68 | J/mol×K | 997.91 | Joback Calculated Property |
| Cp,gas | 1398.80 | J/mol×K | 1032.74 | Joback Calculated Property |
| Cp,gas | 1418.00 | J/mol×K | 1067.56 | Joback Calculated Property |
| Cp,gas | 1436.36 | J/mol×K | 1102.39 | Joback Calculated Property |
| Cp,gas | 1454.01 | J/mol×K | 1137.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (9Z,12Z)-3,7-Dimethyloct-6-en-1-yl octadeca-9,12-dienoate.
Sources
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