- InChI
- InChI=1S/C13H8F2O2/c14-10-7-4-8-11(15)12(10)13(16)17-9-5-2-1-3-6-9/h1-8H
- InChI Key
- DDNHPNJDMLTMHR-UHFFFAOYSA-N
- Formula
- C13H8F2O2
- SMILES
- O=C(Oc1ccccc1)c1c(F)cccc1F
- Molecular Weight1
- 234.20
- 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 | 0.5859 | Relay (1.0) Calculated Property | |
| ΔfG° | -359.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -498.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.184 | Crippen Calculated Property | |
| McVol | 157.490 | ml/mol | McGowan Calculated Property |
| Pc | 2835.36 | kPa | Joback Calculated Property |
| Inp | [1632.20; 1632.20] |
|
|
| Inp | 1632.20 | NIST | |
| Inp | 1632.20 | NIST | |
| Tboil | 556.60 | K | Relay (1.0) Calculated Property |
| Tc | 822.47 | K | Relay (1.0) Calculated Property |
| Tfus | 318.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.580 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [380.82; 444.24] | J/mol×K | [634.99; 861.72] |
|
| Cp,gas | 380.82 | J/mol×K | 634.99 | Joback Calculated Property |
| Cp,gas | 393.64 | J/mol×K | 672.78 | Joback Calculated Property |
| Cp,gas | 405.52 | J/mol×K | 710.57 | Joback Calculated Property |
| Cp,gas | 416.49 | J/mol×K | 748.35 | Joback Calculated Property |
| Cp,gas | 426.58 | J/mol×K | 786.14 | Joback Calculated Property |
| Cp,gas | 435.82 | J/mol×K | 823.93 | Joback Calculated Property |
| Cp,gas | 444.24 | J/mol×K | 861.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Difluorobenzoic acid, phenyl ester.
Sources
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