- InChI
- InChI=1S/C15H19FO2/c1-3-4-5-6-9-12(2)18-15(17)13-10-7-8-11-14(13)16/h6-12H,3-5H2,1-2H3/b9-6+
- InChI Key
- WKAAQJWBEIEQEX-RMKNXTFCSA-N
- Formula
- C15H19FO2
- SMILES
- CCCCC=CC(C)OC(=O)c1ccccc1F
- Molecular Weight1
- 250.31
- 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° | -172.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -456.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.83 | kJ/mol | Joback Calculated Property |
| log10WS | -4.94 | Crippen Calculated Property | |
| logPoct/wat | 4.117 | Crippen Calculated Property | |
| McVol | 203.360 | ml/mol | McGowan Calculated Property |
| Pc | 1921.98 | kPa | Joback Calculated Property |
| Inp | [1673.00; 1673.00] |
|
|
| Inp | 1673.00 | NIST | |
| Inp | 1673.00 | NIST | |
| Tboil | 653.54 | K | Joback Calculated Property |
| Tc | 854.55 | K | Joback Calculated Property |
| Tfus | 350.42 | K | Joback Calculated Property |
| Vc | 0.783 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [533.01; 614.33] | J/mol×K | [653.54; 854.55] |
|
| Cp,gas | 533.01 | J/mol×K | 653.54 | Joback Calculated Property |
| Cp,gas | 548.73 | J/mol×K | 687.04 | Joback Calculated Property |
| Cp,gas | 563.54 | J/mol×K | 720.54 | Joback Calculated Property |
| Cp,gas | 577.46 | J/mol×K | 754.05 | Joback Calculated Property |
| Cp,gas | 590.55 | J/mol×K | 787.55 | Joback Calculated Property |
| Cp,gas | 602.83 | J/mol×K | 821.05 | Joback Calculated Property |
| Cp,gas | 614.33 | J/mol×K | 854.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Fluorobenzoic acid, oct-3-en-2-yl ester.
Sources
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