- InChI
- InChI=1S/C8H6F2O3/c9-4-2-1-3-5(10)6(4)7(11)8(12)13/h1-3,7,11H,(H,12,13)
- InChI Key
- BMZWDQNFSCPFCG-UHFFFAOYSA-N
- Formula
- C8H6F2O3
- SMILES
- O=C(O)C(O)c1c(F)cccc1F
- Molecular Weight1
- 188.13
- CAS
- 207981-50-8
- 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).
- 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° | -684.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -809.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.08 | kJ/mol | Joback Calculated Property |
| log10WS | -1.76 | Crippen Calculated Property | |
| logPoct/wat | 1.083 | Crippen Calculated Property | |
| McVol | 116.670 | ml/mol | McGowan Calculated Property |
| Pc | 4328.25 | kPa | Joback Calculated Property |
| Tboil | 655.41 | K | Joback Calculated Property |
| Tc | 839.59 | K | Joback Calculated Property |
| Tfus | 389.13 | K | Joback Calculated Property |
| Vc | 0.450 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [291.91; 327.61] | J/mol×K | [655.41; 839.59] | 
|
| Cp,gas | 291.91 | J/mol×K | 655.41 | Joback Calculated Property |
| Cp,gas | 298.85 | J/mol×K | 686.11 | Joback Calculated Property |
| Cp,gas | 305.38 | J/mol×K | 716.80 | Joback Calculated Property |
| Cp,gas | 311.50 | J/mol×K | 747.50 | Joback Calculated Property |
| Cp,gas | 317.24 | J/mol×K | 778.20 | Joback Calculated Property |
| Cp,gas | 322.60 | J/mol×K | 808.89 | Joback Calculated Property |
| Cp,gas | 327.61 | J/mol×K | 839.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Difluoromandelic acid.
Sources
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