- InChI
- InChI=1S/C9H8F2O2/c1-2-13-9(12)8-6(10)4-3-5-7(8)11/h3-5H,2H2,1H3
- InChI Key
- FBQKPNPHWYPJFU-UHFFFAOYSA-N
- Formula
- C9H8F2O2
- SMILES
- CCOC(=O)c1c(F)cccc1F
- Molecular Weight1
- 186.16
- CAS
- 19064-14-3
- 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° | -505.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -652.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.75 | kJ/mol | Joback Calculated Property |
| log10WS | -2.80 | Crippen Calculated Property | |
| logPoct/wat | 2.142 | Crippen Calculated Property | |
| McVol | 124.890 | ml/mol | McGowan Calculated Property |
| Pc | 3002.44 | kPa | Joback Calculated Property |
| Inp | [1159.80; 1159.80] |
|
|
| Inp | 1159.80 | NIST | |
| Inp | 1159.80 | NIST | |
| Tboil | 516.79 | K | Joback Calculated Property |
| Tc | 714.01 | K | Joback Calculated Property |
| Tfus | 315.99 | K | Joback Calculated Property |
| Vc | 0.491 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [272.63; 329.36] | J/mol×K | [516.79; 714.01] |
|
| Cp,gas | 272.63 | J/mol×K | 516.79 | Joback Calculated Property |
| Cp,gas | 283.34 | J/mol×K | 549.66 | Joback Calculated Property |
| Cp,gas | 293.54 | J/mol×K | 582.53 | Joback Calculated Property |
| Cp,gas | 303.24 | J/mol×K | 615.40 | Joback Calculated Property |
| Cp,gas | 312.44 | J/mol×K | 648.27 | Joback Calculated Property |
| Cp,gas | 321.15 | J/mol×K | 681.14 | Joback Calculated Property |
| Cp,gas | 329.36 | J/mol×K | 714.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Difluorobenzoic acid, ethyl ester.
Sources
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