- InChI
- InChI=1S/C22H42O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h12-13H,3-11,14-21H2,1-2H3
- InChI Key
- WIBFFTLQMKKBLZ-UHFFFAOYSA-N
- Formula
- C22H42O2
- SMILES
- CCCCCCCCC=CCCCCCCCC(=O)OCCCC
- Molecular Weight1
- 338.57
- CAS
- 13171-24-9
- 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).
- 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 | 0.9638 | Relay (1.0) Calculated Property | |
| ΔfG° | -19.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -752.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.367 | Crippen Calculated Property | |
| McVol | 323.980 | ml/mol | McGowan Calculated Property |
| Pc | 957.32 | kPa | Joback Calculated Property |
| Tboil | 610.33 | K | Relay (1.0) Calculated Property |
| Tc | 791.52 | K | Relay (1.0) Calculated Property |
| Tfus | 268.33 | K | Relay (1.0) Calculated Property |
| Vc | 1.235 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1006.83; 1112.80] | J/mol×K | [783.21; 962.10] | 
|
| Cp,gas | 1006.83 | J/mol×K | 783.21 | Joback Calculated Property |
| Cp,gas | 1026.84 | J/mol×K | 813.03 | Joback Calculated Property |
| Cp,gas | 1045.86 | J/mol×K | 842.84 | Joback Calculated Property |
| Cp,gas | 1063.93 | J/mol×K | 872.66 | Joback Calculated Property |
| Cp,gas | 1081.08 | J/mol×K | 902.47 | Joback Calculated Property |
| Cp,gas | 1097.36 | J/mol×K | 932.29 | Joback Calculated Property |
| Cp,gas | 1112.80 | J/mol×K | 962.10 | Joback Calculated Property |
| η | [0.0000483; 0.0012526] | Pa×s | [404.78; 783.21] |
|
| η | 0.0012526 | Pa×s | 404.78 | Joback Calculated Property |
| η | 0.0005052 | Pa×s | 467.85 | Joback Calculated Property |
| η | 0.0002528 | Pa×s | 530.92 | Joback Calculated Property |
| η | 0.0001465 | Pa×s | 593.99 | Joback Calculated Property |
| η | 0.0000943 | Pa×s | 657.07 | Joback Calculated Property |
| η | 0.0000656 | Pa×s | 720.14 | Joback Calculated Property |
| η | 0.0000483 | Pa×s | 783.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 9-Octadecenoic acid, butyl ester.
Sources
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