- InChI
- InChI=1S/C17H19FO2/c1-12(2)8-9-16(10-13(3)4)20-17(19)14-6-5-7-15(18)11-14/h5-7,11,13,16H,1,10H2,2-4H3
- InChI Key
- BQKXOFJUHHXDMP-UHFFFAOYSA-N
- Formula
- C17H19FO2
- SMILES
-
C=C(C)C#CC(CC(C)C)OC(=O)c1cccc
(F)c1 - Molecular Weight1
- 274.33
- 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).
- 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° | 43.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -232.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.50 | kJ/mol | Joback Calculated Property |
| log10WS | -5.33 | Crippen Calculated Property | |
| logPoct/wat | 3.977 | Crippen Calculated Property | |
| McVol | 222.940 | ml/mol | McGowan Calculated Property |
| Pc | 1874.03 | kPa | Joback Calculated Property |
| Inp | [1755.60; 1755.60] |
|
|
| Inp | 1755.60 | NIST | |
| Inp | 1755.60 | NIST | |
| Tboil | 700.26 | K | Joback Calculated Property |
| Tc | 919.03 | K | Joback Calculated Property |
| Tfus | 453.42 | K | Joback Calculated Property |
| Vc | 0.854 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [594.55; 678.11] | J/mol×K | [700.26; 919.03] |
|
| Cp,gas | 594.55 | J/mol×K | 700.26 | Joback Calculated Property |
| Cp,gas | 611.02 | J/mol×K | 736.72 | Joback Calculated Property |
| Cp,gas | 626.43 | J/mol×K | 773.18 | Joback Calculated Property |
| Cp,gas | 640.81 | J/mol×K | 809.64 | Joback Calculated Property |
| Cp,gas | 654.19 | J/mol×K | 846.11 | Joback Calculated Property |
| Cp,gas | 666.61 | J/mol×K | 882.57 | Joback Calculated Property |
| Cp,gas | 678.11 | J/mol×K | 919.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Fluorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester.
Sources
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