- InChI
- InChI=1S/C13H6F4O2/c14-7-1-2-12(17)11(6-7)13(18)19-10-4-8(15)3-9(16)5-10/h1-6H
- InChI Key
- VSYGUNOOWSUHEF-UHFFFAOYSA-N
- Formula
- C13H6F4O2
- SMILES
-
O=C(Oc1cc(F)cc(F)c1)c1cc(F)ccc
1F - Molecular Weight1
- 270.18
- 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° | -768.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -913.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.62 | kJ/mol | Joback Calculated Property |
| log10WS | -4.88 | Crippen Calculated Property | |
| logPoct/wat | 3.462 | Crippen Calculated Property | |
| McVol | 161.030 | ml/mol | McGowan Calculated Property |
| Pc | 2505.01 | kPa | Joback Calculated Property |
| Inp | 1571.00 | NIST | |
| Tboil | 643.49 | K | Joback Calculated Property |
| Tc | 852.13 | K | Joback Calculated Property |
| Tfus | 413.71 | K | Joback Calculated Property |
| Vc | 0.643 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [394.83; 451.33] | J/mol×K | [643.49; 852.13] | 
|
| Cp,gas | 394.83 | J/mol×K | 643.49 | Joback Calculated Property |
| Cp,gas | 406.05 | J/mol×K | 678.26 | Joback Calculated Property |
| Cp,gas | 416.52 | J/mol×K | 713.04 | Joback Calculated Property |
| Cp,gas | 426.28 | J/mol×K | 747.81 | Joback Calculated Property |
| Cp,gas | 435.32 | J/mol×K | 782.58 | Joback Calculated Property |
| Cp,gas | 443.67 | J/mol×K | 817.36 | Joback Calculated Property |
| Cp,gas | 451.33 | J/mol×K | 852.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Difluorobenzoic acid, 3,5-difluophenyl ester.
Sources
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