- InChI
- InChI=1S/C8H6F2O2/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4H,1H3
- InChI Key
- QNPFLTKQLFSKBY-UHFFFAOYSA-N
- Formula
- C8H6F2O2
- SMILES
- COC(=O)c1c(F)cccc1F
- Molecular Weight1
- 172.13
- CAS
- 13671-00-6
- Other Names
-
- 2,6-Difluorobenzoic acid, methyl ester
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.4697 | Relay (... Calculated Property | |
| ΔfG° | -513.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -634.90 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 18.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.20 | kJ/mol | Relay (... Calculated Property |
| IE | 9.42 | eV | Relay (... Calculated Property |
| log10WS | -2.77 | Relay (... Calculated Property | |
| logPoct/wat | 1.751 | Crippen Calculated Property | |
| McVol | 110.800 | ml/mol | McGowan Calculated Property |
| Pc | 3345.11 | kPa | Joback Calculated Property |
| Inp | [1065.10; 1065.10] |
|
|
| Inp | 1065.10 | NIST | |
| Inp | 1065.10 | NIST | |
| Tboil | 460.38 | K | Relay (... Calculated Property |
| Tc | 672.50 | K | Relay (... Calculated Property |
| Tfus | 279.86 | K | Relay (... Calculated Property |
| Vc | 0.412 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [230.70; 281.58] | J/mol×K | [493.91; 693.80] |
|
| Cp,gas | 230.70 | J/mol×K | 493.91 | Joback Calculated Property |
| Cp,gas | 240.29 | J/mol×K | 527.22 | Joback Calculated Property |
| Cp,gas | 249.43 | J/mol×K | 560.54 | Joback Calculated Property |
| Cp,gas | 258.13 | J/mol×K | 593.85 | Joback Calculated Property |
| Cp,gas | 266.38 | J/mol×K | 627.17 | Joback Calculated Property |
| Cp,gas | 274.20 | J/mol×K | 660.48 | Joback Calculated Property |
| Cp,gas | 281.58 | J/mol×K | 693.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 2,6-difluorobenzoate.
Sources
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