- InChI
- InChI=1S/C17H28O2/c1-6-8-9-11-17(18)19-16(13-12-14(3)4)15(5)10-7-2/h15-16H,3,6-11H2,1-2,4-5H3
- InChI Key
- SJABPZWVTDJILC-UHFFFAOYSA-N
- Formula
- C17H28O2
- SMILES
- C=C(C)C#CC(OC(=O)CCCCC)C(C)CCC
- Molecular Weight1
- 264.40
- 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 | 0.6220 | Relay (... Calculated Property | |
| ΔfG° | 135.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -327.28 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 36.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.72 | kJ/mol | Relay (... Calculated Property |
| IE | 8.88 | eV | Relay (... Calculated Property |
| log10WS | -4.66 | Relay (... Calculated Property | |
| logPoct/wat | 4.494 | Crippen Calculated Property | |
| McVol | 244.930 | ml/mol | McGowan Calculated Property |
| Pc | 1501.15 | kPa | Joback Calculated Property |
| Inp | [1649.00; 1649.00] |
|
|
| Inp | 1649.00 | NIST | |
| Inp | 1649.00 | NIST | |
| Tboil | 529.60 | K | Relay (... Calculated Property |
| Tc | 727.19 | K | Relay (... Calculated Property |
| Tfus | 241.51 | K | Relay (... Calculated Property |
| Vc | 0.870 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [667.40; 763.46] | J/mol×K | [669.33; 860.81] |
|
| Cp,gas | 667.40 | J/mol×K | 669.33 | Joback Calculated Property |
| Cp,gas | 685.61 | J/mol×K | 701.24 | Joback Calculated Property |
| Cp,gas | 702.92 | J/mol×K | 733.16 | Joback Calculated Property |
| Cp,gas | 719.33 | J/mol×K | 765.07 | Joback Calculated Property |
| Cp,gas | 734.87 | J/mol×K | 796.98 | Joback Calculated Property |
| Cp,gas | 749.57 | J/mol×K | 828.89 | Joback Calculated Property |
| Cp,gas | 763.46 | J/mol×K | 860.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester.
Sources
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