- InChI
- InChI=1S/C22H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h9-10,12-13H,3-8,11,14-21H2,1-2H3/b10-9-,13-12-
- InChI Key
- SVGGKWILBMPIJV-UTJQPWESSA-N
- Formula
- C22H40O2
- SMILES
- CCCCCC=CCC=CCCCCCCCC(=O)OCCCC
- Molecular Weight1
- 336.55
- 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).
- I : 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 | 0.8801 | Relay (1.0) Calculated Property | |
| ΔfG° | 60.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -685.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.143 | Crippen Calculated Property | |
| McVol | 319.680 | ml/mol | McGowan Calculated Property |
| Pc | 988.88 | kPa | Joback Calculated Property |
| I | [2631.00; 2631.00] |
|
|
| I | 2631.00 | NIST | |
| I | 2631.00 | NIST | |
| Tboil | 610.72 | K | Relay (1.0) Calculated Property |
| Tc | 789.23 | K | Relay (1.0) Calculated Property |
| Tfus | 258.81 | K | Relay (1.0) Calculated Property |
| Vc | 1.176 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [982.44; 1085.84] | J/mol×K | [787.37; 968.88] |
|
| Cp,gas | 982.44 | J/mol×K | 787.37 | Joback Calculated Property |
| Cp,gas | 1001.90 | J/mol×K | 817.62 | Joback Calculated Property |
| Cp,gas | 1020.40 | J/mol×K | 847.87 | Joback Calculated Property |
| Cp,gas | 1038.00 | J/mol×K | 878.13 | Joback Calculated Property |
| Cp,gas | 1054.74 | J/mol×K | 908.38 | Joback Calculated Property |
| Cp,gas | 1070.67 | J/mol×K | 938.63 | Joback Calculated Property |
| Cp,gas | 1085.84 | J/mol×K | 968.88 | Joback Calculated Property |
| η | [0.0000420; 0.0011728] | Pa×s | [399.70; 787.37] |
|
| η | 0.0011728 | Pa×s | 399.70 | Joback Calculated Property |
| η | 0.0004577 | Pa×s | 464.31 | Joback Calculated Property |
| η | 0.0002248 | Pa×s | 528.92 | Joback Calculated Property |
| η | 0.0001289 | Pa×s | 593.53 | Joback Calculated Property |
| η | 0.0000824 | Pa×s | 658.15 | Joback Calculated Property |
| η | 0.0000571 | Pa×s | 722.76 | Joback Calculated Property |
| η | 0.0000420 | Pa×s | 787.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to butyl (Z,Z)-9,12-octadecadienoate.
Sources
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