- InChI
- InChI=1S/C18H21FO2/c1-5-6-14(4)17(12-7-13(2)3)21-18(20)15-8-10-16(19)11-9-15/h8-11,14,17H,2,5-6H2,1,3-4H3
- InChI Key
- AAVUBKXHJNKXNY-UHFFFAOYSA-N
- Formula
- C18H21FO2
- SMILES
-
C=C(C)C#CC(OC(=O)c1ccc(F)cc1)C
(C)CCC - Molecular Weight1
- 288.36
- 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 | 0.5910 | Relay (... Calculated Property | |
| ΔfG° | 51.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -322.47 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 35.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.04 | kJ/mol | Relay (... Calculated Property |
| IE | 8.86 | eV | Relay (... Calculated Property |
| log10WS | -5.26 | Relay (... Calculated Property | |
| logPoct/wat | 4.367 | Crippen Calculated Property | |
| McVol | 237.030 | ml/mol | McGowan Calculated Property |
| Pc | 1727.46 | kPa | Joback Calculated Property |
| Inp | 1815.00 | NIST | |
| Tboil | 574.60 | K | Relay (... Calculated Property |
| Tc | 779.55 | K | Relay (... Calculated Property |
| Tfus | 293.66 | K | Relay (... Calculated Property |
| Vc | 0.821 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [648.86; 734.09] | J/mol×K | [723.14; 938.59] | 
|
| Cp,gas | 648.86 | J/mol×K | 723.14 | Joback Calculated Property |
| Cp,gas | 665.65 | J/mol×K | 759.05 | Joback Calculated Property |
| Cp,gas | 681.35 | J/mol×K | 794.96 | Joback Calculated Property |
| Cp,gas | 696.01 | J/mol×K | 830.87 | Joback Calculated Property |
| Cp,gas | 709.66 | J/mol×K | 866.77 | Joback Calculated Property |
| Cp,gas | 722.34 | J/mol×K | 902.68 | Joback Calculated Property |
| Cp,gas | 734.09 | J/mol×K | 938.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Fluorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester.
Sources
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