- InChI
- InChI=1S/C17H30O2/c1-5-7-9-10-11-13-17(18)19-16(12-8-6-2)14-15(3)4/h15-16H,5-7,9-11,13-14H2,1-4H3
- InChI Key
- UYHUFAFUDXIGDI-UHFFFAOYSA-N
- Formula
- C17H30O2
- SMILES
- CCC#CC(CC(C)C)OC(=O)CCCCCCC
- Molecular Weight1
- 266.42
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6639 | Relay (... Calculated Property | |
| ΔfG° | 56.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -439.06 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 38.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.79 | kJ/mol | Relay (... Calculated Property |
| IE | 9.33 | eV | Relay (... Calculated Property |
| log10WS | -5.09 | Relay (... Calculated Property | |
| logPoct/wat | 4.718 | Crippen Calculated Property | |
| McVol | 249.230 | ml/mol | McGowan Calculated Property |
| Pc | 1447.94 | kPa | Joback Calculated Property |
| Inp | 1710.00 | NIST | |
| Tboil | 532.21 | K | Relay (... Calculated Property |
| Tc | 729.56 | K | Relay (... Calculated Property |
| Tfus | 240.05 | K | Relay (... Calculated Property |
| Vc | 0.905 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [691.17; 789.06] | J/mol×K | [672.77; 858.99] | 
|
| Cp,gas | 691.17 | J/mol×K | 672.77 | Joback Calculated Property |
| Cp,gas | 709.66 | J/mol×K | 703.81 | Joback Calculated Property |
| Cp,gas | 727.25 | J/mol×K | 734.84 | Joback Calculated Property |
| Cp,gas | 743.97 | J/mol×K | 765.88 | Joback Calculated Property |
| Cp,gas | 759.83 | J/mol×K | 796.92 | Joback Calculated Property |
| Cp,gas | 774.85 | J/mol×K | 827.96 | Joback Calculated Property |
| Cp,gas | 789.06 | J/mol×K | 858.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octanoic acid, 2-methyloct-5-yn-4-yl ester.
Sources
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