- InChI
- InChI=1S/C26H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(27)28-24-23-25-20-17-16-18-21-25/h6-7,9-10,16-18,20-21H,2-5,8,11-15,19,22-24H2,1H3/b7-6-,10-9-
- InChI Key
- QUEAXLYDBBSTME-HZJYTTRNSA-N
- Formula
- C26H40O2
- SMILES
-
CCCCCC=CCC=CCCCCCCCC(=O)OCCc1c
cccc1 - Molecular Weight1
- 384.59
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 0.9501 | Relay (1.0) Calculated Property | |
| ΔfG° | 206.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -523.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 60.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 123.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.586 | Crippen Calculated Property | |
| McVol | 352.280 | ml/mol | McGowan Calculated Property |
| Pc | 956.73 | kPa | Joback Calculated Property |
| Inp | [2864.40; 2864.40] |
|
|
| Inp | 2864.40 | NIST | |
| Inp | 2864.40 | NIST | |
| Tboil | 669.31 | K | Relay (1.0) Calculated Property |
| Tc | 865.67 | K | Relay (1.0) Calculated Property |
| Tfus | 282.45 | K | Relay (1.0) Calculated Property |
| Vc | 1.265 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1138.59; 1238.37] | J/mol×K | [905.57; 1111.08] |
|
| Cp,gas | 1138.59 | J/mol×K | 905.57 | Joback Calculated Property |
| Cp,gas | 1157.63 | J/mol×K | 939.82 | Joback Calculated Property |
| Cp,gas | 1175.59 | J/mol×K | 974.07 | Joback Calculated Property |
| Cp,gas | 1192.56 | J/mol×K | 1008.33 | Joback Calculated Property |
| Cp,gas | 1208.63 | J/mol×K | 1042.58 | Joback Calculated Property |
| Cp,gas | 1223.87 | J/mol×K | 1076.83 | Joback Calculated Property |
| Cp,gas | 1238.37 | J/mol×K | 1111.08 | Joback Calculated Property |
| η | [0.0000244; 0.0005810] | Pa×s | [471.20; 905.57] |
|
| η | 0.0005810 | Pa×s | 471.20 | Joback Calculated Property |
| η | 0.0002411 | Pa×s | 543.60 | Joback Calculated Property |
| η | 0.0001230 | Pa×s | 615.99 | Joback Calculated Property |
| η | 0.0000723 | Pa×s | 688.38 | Joback Calculated Property |
| η | 0.0000470 | Pa×s | 760.78 | Joback Calculated Property |
| η | 0.0000329 | Pa×s | 833.17 | Joback Calculated Property |
| η | 0.0000244 | Pa×s | 905.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (9Z,12Z)-Phenethyl octadeca-9,12-dienoate.
Sources
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