- InChI
- InChI=1S/C16H30O2/c1-4-6-8-10-12-14-16(17)18-15(3)13-11-9-7-5-2/h11,13,15H,4-10,12,14H2,1-3H3/b13-11+
- InChI Key
- YLCXQAGJQBBVIX-ACCUITESSA-N
- Formula
- C16H30O2
- SMILES
- CCCCC=CC(C)OC(=O)CCCCCCC
- Molecular Weight1
- 254.41
- 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° | -72.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -506.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.94 | kJ/mol | Joback Calculated Property |
| log10WS | -5.35 | Crippen Calculated Property | |
| logPoct/wat | 5.025 | Crippen Calculated Property | |
| McVol | 239.440 | ml/mol | McGowan Calculated Property |
| Pc | 1426.15 | kPa | Joback Calculated Property |
| Inp | 1666.00 | NIST | |
| Tboil | 645.49 | K | Joback Calculated Property |
| Tc | 820.35 | K | Joback Calculated Property |
| Tfus | 322.16 | K | Joback Calculated Property |
| Vc | 0.929 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [655.51; 750.45] | J/mol×K | [645.49; 820.35] | 
|
| Cp,gas | 655.51 | J/mol×K | 645.49 | Joback Calculated Property |
| Cp,gas | 673.27 | J/mol×K | 674.63 | Joback Calculated Property |
| Cp,gas | 690.23 | J/mol×K | 703.78 | Joback Calculated Property |
| Cp,gas | 706.40 | J/mol×K | 732.92 | Joback Calculated Property |
| Cp,gas | 721.81 | J/mol×K | 762.07 | Joback Calculated Property |
| Cp,gas | 736.48 | J/mol×K | 791.21 | Joback Calculated Property |
| Cp,gas | 750.45 | J/mol×K | 820.35 | Joback Calculated Property |
| η | [0.0000974; 0.0029760] | Pa×s | [322.16; 645.49] |
|
| η | 0.0029760 | Pa×s | 322.16 | Joback Calculated Property |
| η | 0.0011188 | Pa×s | 376.05 | Joback Calculated Property |
| η | 0.0005375 | Pa×s | 429.94 | Joback Calculated Property |
| η | 0.0003041 | Pa×s | 483.82 | Joback Calculated Property |
| η | 0.0001928 | Pa×s | 537.71 | Joback Calculated Property |
| η | 0.0001328 | Pa×s | 591.60 | Joback Calculated Property |
| η | 0.0000974 | Pa×s | 645.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octanoic acid, oct-3-en-2-yl ester.
Sources
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