- InChI
- InChI=1S/C11H8F2O2/c1-3-7(2)15-11(14)10-8(12)5-4-6-9(10)13/h1,4-7H,2H3
- InChI Key
- GDWZNZBLLTYAED-UHFFFAOYSA-N
- Formula
- C11H8F2O2
- SMILES
- C#CC(C)OC(=O)c1c(F)cccc1F
- Molecular Weight1
- 210.18
- 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° | -268.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -407.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.67 | kJ/mol | Joback Calculated Property |
| log10WS | -3.54 | Crippen Calculated Property | |
| logPoct/wat | 2.143 | Crippen Calculated Property | |
| McVol | 144.470 | ml/mol | McGowan Calculated Property |
| Pc | 2887.40 | kPa | Joback Calculated Property |
| Inp | 1306.60 | NIST | |
| Tboil | 552.23 | K | Joback Calculated Property |
| Tc | 761.57 | K | Joback Calculated Property |
| Tfus | 370.50 | K | Joback Calculated Property |
| Vc | 0.559 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [324.87; 384.16] | J/mol×K | [552.23; 761.57] | 
|
| Cp,gas | 324.87 | J/mol×K | 552.23 | Joback Calculated Property |
| Cp,gas | 336.33 | J/mol×K | 587.12 | Joback Calculated Property |
| Cp,gas | 347.13 | J/mol×K | 622.01 | Joback Calculated Property |
| Cp,gas | 357.30 | J/mol×K | 656.90 | Joback Calculated Property |
| Cp,gas | 366.85 | J/mol×K | 691.79 | Joback Calculated Property |
| Cp,gas | 375.80 | J/mol×K | 726.68 | Joback Calculated Property |
| Cp,gas | 384.16 | J/mol×K | 761.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Difluorobenzoic acid, but-3-yn-2-yl ester.
Sources
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