- InChI
- InChI=1S/C16H19FO2/c1-4-5-8-13(11-12(2)3)19-16(18)14-9-6-7-10-15(14)17/h6-7,9-10,12-13H,4,11H2,1-3H3
- InChI Key
- PSAIZRUZRDMMTE-UHFFFAOYSA-N
- Formula
- C16H19FO2
- SMILES
- CCC#CC(CC(C)C)OC(=O)c1ccccc1F
- Molecular Weight1
- 262.32
- 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° | -44.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -327.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.86 | kJ/mol | Joback Calculated Property |
| log10WS | -5.06 | Crippen Calculated Property | |
| logPoct/wat | 3.811 | Crippen Calculated Property | |
| McVol | 213.150 | ml/mol | McGowan Calculated Property |
| Pc | 1956.14 | kPa | Joback Calculated Property |
| Inp | [1724.00; 1724.00] |
|
|
| Inp | 1724.00 | NIST | |
| Inp | 1724.00 | NIST | |
| Tboil | 680.82 | K | Joback Calculated Property |
| Tc | 895.79 | K | Joback Calculated Property |
| Tfus | 457.87 | K | Joback Calculated Property |
| Vc | 0.816 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [564.99; 648.90] | J/mol×K | [680.82; 895.79] |
|
| Cp,gas | 564.99 | J/mol×K | 680.82 | Joback Calculated Property |
| Cp,gas | 581.44 | J/mol×K | 716.65 | Joback Calculated Property |
| Cp,gas | 596.86 | J/mol×K | 752.48 | Joback Calculated Property |
| Cp,gas | 611.29 | J/mol×K | 788.31 | Joback Calculated Property |
| Cp,gas | 624.76 | J/mol×K | 824.14 | Joback Calculated Property |
| Cp,gas | 637.29 | J/mol×K | 859.96 | Joback Calculated Property |
| Cp,gas | 648.90 | J/mol×K | 895.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Fluorobenzoic acid, 2-methyloct-5-yn-4-yl ester.
Sources
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