- InChI
- InChI=1S/C16H28O2/c1-4-6-8-10-12-14-16(17)18-15(3)13-11-9-7-5-2/h10-13,15H,4-9,14H2,1-3H3/b12-10+,13-11+
- InChI Key
- DHMLVAHJCQWZQK-DCIPZJNNSA-N
- Formula
- C16H28O2
- SMILES
- CCCCC=CCC(=O)OC(C)C=CCCCC
- Molecular Weight1
- 252.39
- 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° | 7.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -389.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.89 | kJ/mol | Joback Calculated Property |
| log10WS | -5.20 | Crippen Calculated Property | |
| logPoct/wat | 4.801 | Crippen Calculated Property | |
| McVol | 235.140 | ml/mol | McGowan Calculated Property |
| Pc | 1483.85 | kPa | Joback Calculated Property |
| Inp | [1688.00; 1688.00] |
|
|
| Inp | 1688.00 | NIST | |
| Inp | 1688.00 | NIST | |
| Tboil | 649.65 | K | Joback Calculated Property |
| Tc | 830.18 | K | Joback Calculated Property |
| Tfus | 317.08 | K | Joback Calculated Property |
| Vc | 0.909 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [634.54; 726.78] | J/mol×K | [649.65; 830.18] |
|
| Cp,gas | 634.54 | J/mol×K | 649.65 | Joback Calculated Property |
| Cp,gas | 651.88 | J/mol×K | 679.74 | Joback Calculated Property |
| Cp,gas | 668.39 | J/mol×K | 709.83 | Joback Calculated Property |
| Cp,gas | 684.10 | J/mol×K | 739.91 | Joback Calculated Property |
| Cp,gas | 699.05 | J/mol×K | 770.00 | Joback Calculated Property |
| Cp,gas | 713.26 | J/mol×K | 800.09 | Joback Calculated Property |
| Cp,gas | 726.78 | J/mol×K | 830.18 | Joback Calculated Property |
| η | [0.0000836; 0.0028040] | Pa×s | [317.08; 649.65] |
|
| η | 0.0028040 | Pa×s | 317.08 | Joback Calculated Property |
| η | 0.0010102 | Pa×s | 372.51 | Joback Calculated Property |
| η | 0.0004741 | Pa×s | 427.94 | Joback Calculated Property |
| η | 0.0002647 | Pa×s | 483.37 | Joback Calculated Property |
| η | 0.0001666 | Pa×s | 538.79 | Joback Calculated Property |
| η | 0.0001143 | Pa×s | 594.22 | Joback Calculated Property |
| η | 0.0000836 | Pa×s | 649.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Oct-3-enoic acid, oct-3-en-2-yl ester.
Sources
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