- InChI
- InChI=1S/C14H26O2/c1-3-5-7-9-10-12-14(15)16-13-11-8-6-4-2/h8,11H,3-7,9-10,12-13H2,1-2H3/b11-8+
- InChI Key
- IRUGSDVUJNNIMW-DHZHZOJOSA-N
- Formula
- C14H26O2
- SMILES
- CCCC=CCOC(=O)CCCCCCC
- Molecular Weight1
- 226.35
- CAS
- 85554-72-9
- Other Names
-
- trans-2-Hexenyl n-octanoate
- (2E)-2-Hexenyl octanoate
- (E)-2-Hexenyl octanoate
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | -86.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -459.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.87 | kJ/mol | Joback Calculated Property |
| log10WS | -4.40 | Crippen Calculated Property | |
| logPoct/wat | 4.246 | Crippen Calculated Property | |
| McVol | 211.260 | ml/mol | McGowan Calculated Property |
| Pc | 1647.09 | kPa | Joback Calculated Property |
| Inp | 1573.00 | NIST | |
| I | 1853.00 | NIST | |
| Tboil | 600.17 | K | Joback Calculated Property |
| Tc | 774.06 | K | Joback Calculated Property |
| Tfus | 314.62 | K | Joback Calculated Property |
| Vc | 0.824 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [547.45; 636.08] | J/mol×K | [600.17; 774.06] | 
|
| Cp,gas | 547.45 | J/mol×K | 600.17 | Joback Calculated Property |
| Cp,gas | 563.96 | J/mol×K | 629.15 | Joback Calculated Property |
| Cp,gas | 579.75 | J/mol×K | 658.13 | Joback Calculated Property |
| Cp,gas | 594.83 | J/mol×K | 687.12 | Joback Calculated Property |
| Cp,gas | 609.24 | J/mol×K | 716.10 | Joback Calculated Property |
| Cp,gas | 622.98 | J/mol×K | 745.08 | Joback Calculated Property |
| Cp,gas | 636.08 | J/mol×K | 774.06 | Joback Calculated Property |
| η | [0.0001309; 0.0025872] | Pa×s | [314.62; 600.17] |
|
| η | 0.0025872 | Pa×s | 314.62 | Joback Calculated Property |
| η | 0.0011349 | Pa×s | 362.21 | Joback Calculated Property |
| η | 0.0006028 | Pa×s | 409.80 | Joback Calculated Property |
| η | 0.0003653 | Pa×s | 457.40 | Joback Calculated Property |
| η | 0.0002432 | Pa×s | 504.99 | Joback Calculated Property |
| η | 0.0001737 | Pa×s | 552.58 | Joback Calculated Property |
| η | 0.0001309 | Pa×s | 600.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octanoic acid, 2-hexenyl ester, (E)-.
Sources
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