- InChI
- InChI=1S/C22H34O2/c1-3-5-6-7-8-9-10-11-12-16-19-24-22(23)21(4-2)20-17-14-13-15-18-20/h12-18,21H,3-11,19H2,1-2H3/b16-12+
- InChI Key
- OKASAXVDJXILIH-FOWTUZBSSA-N
- Formula
- C22H34O2
- SMILES
-
CCCCCCCCCC=CCOC(=O)C(CC)c1cccc
c1 - Molecular Weight1
- 330.50
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 90.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -393.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.57 | kJ/mol | Joback Calculated Property |
| log10WS | -6.81 | Crippen Calculated Property | |
| logPoct/wat | 6.420 | Crippen Calculated Property | |
| McVol | 300.220 | ml/mol | McGowan Calculated Property |
| Pc | 1194.82 | kPa | Joback Calculated Property |
| Inp | [2345.00; 2345.00] |
|
|
| Inp | 2345.00 | NIST | |
| Inp | 2345.00 | NIST | |
| Tboil | 809.45 | K | Joback Calculated Property |
| Tc | 1006.73 | K | Joback Calculated Property |
| Tfus | 416.20 | K | Joback Calculated Property |
| Vc | 1.157 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [920.54; 1015.98] | J/mol×K | [809.45; 1006.73] |
|
| Cp,gas | 920.54 | J/mol×K | 809.45 | Joback Calculated Property |
| Cp,gas | 939.00 | J/mol×K | 842.33 | Joback Calculated Property |
| Cp,gas | 956.37 | J/mol×K | 875.21 | Joback Calculated Property |
| Cp,gas | 972.69 | J/mol×K | 908.09 | Joback Calculated Property |
| Cp,gas | 988.03 | J/mol×K | 940.97 | Joback Calculated Property |
| Cp,gas | 1002.45 | J/mol×K | 973.85 | Joback Calculated Property |
| Cp,gas | 1015.98 | J/mol×K | 1006.73 | Joback Calculated Property |
| η | [0.0000452; 0.0011847] | Pa×s | [416.20; 809.45] |
|
| η | 0.0011847 | Pa×s | 416.20 | Joback Calculated Property |
| η | 0.0004747 | Pa×s | 481.74 | Joback Calculated Property |
| η | 0.0002368 | Pa×s | 547.28 | Joback Calculated Property |
| η | 0.0001371 | Pa×s | 612.82 | Joback Calculated Property |
| η | 0.0000882 | Pa×s | 678.37 | Joback Calculated Property |
| η | 0.0000613 | Pa×s | 743.91 | Joback Calculated Property |
| η | 0.0000452 | Pa×s | 809.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, 2-phenyl-, dodec-2-en-1-yl ester.
Sources
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