- 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
- 338.58
- 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° | -95.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -752.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.72 | 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 | 933.49 | kPa | Joback Calculated Property |
| Tboil | 610.33 | K | Relay (1.0) Calculated Property |
| Tc | 794.69 | K | Relay (1.0) Calculated Property |
| Tfus | 265.51 | K | Relay (1.0) Calculated Property |
| Vc | 1.237 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [997.22; 1103.30] | J/mol×K | [765.34; 941.01] | 
|
| Cp,gas | 997.22 | J/mol×K | 765.34 | Joback Calculated Property |
| Cp,gas | 1017.30 | J/mol×K | 794.62 | Joback Calculated Property |
| Cp,gas | 1036.37 | J/mol×K | 823.90 | Joback Calculated Property |
| Cp,gas | 1054.47 | J/mol×K | 853.18 | Joback Calculated Property |
| Cp,gas | 1071.64 | J/mol×K | 882.46 | Joback Calculated Property |
| Cp,gas | 1087.90 | J/mol×K | 911.74 | Joback Calculated Property |
| Cp,gas | 1103.30 | J/mol×K | 941.01 | Joback Calculated Property |
| η | [0.0000429; 0.0018009] | Pa×s | [374.95; 765.34] |
|
| η | 0.0018009 | Pa×s | 374.95 | Joback Calculated Property |
| η | 0.0006093 | Pa×s | 440.02 | Joback Calculated Property |
| η | 0.0002726 | Pa×s | 505.08 | Joback Calculated Property |
| η | 0.0001465 | Pa×s | 570.14 | Joback Calculated Property |
| η | 0.0000894 | Pa×s | 635.21 | Joback Calculated Property |
| η | 0.0000598 | Pa×s | 700.27 | Joback Calculated Property |
| η | 0.0000429 | Pa×s | 765.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 9-Octadecenoic acid, butyl ester.
Sources
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