- InChI
- InChI=1S/C9H6F2O2/c10-7-2-3-8(11)6(5-7)1-4-9(12)13/h1-5H,(H,12,13)/b4-1+
- InChI Key
- XAWHCSKPALFWBI-DAFODLJHSA-N
- Formula
- C9H6F2O2
- SMILES
- O=C(O)C=Cc1cc(F)ccc1F
- Molecular Weight1
- 184.14
- CAS
- 112898-33-6
- 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° | -457.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -555.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.98 | kJ/mol | Joback Calculated Property |
| log10WS | -2.48 | Crippen Calculated Property | |
| logPoct/wat | 2.063 | Crippen Calculated Property | |
| McVol | 120.590 | ml/mol | McGowan Calculated Property |
| Pc | 3611.55 | kPa | Joback Calculated Property |
| Tboil | 590.71 | K | Joback Calculated Property |
| Tc | 785.69 | K | Joback Calculated Property |
| Tfus | 349.50 | K | Joback Calculated Property |
| Vc | 0.472 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [275.34; 318.57] | J/mol×K | [590.71; 785.69] | 
|
| Cp,gas | 275.34 | J/mol×K | 590.71 | Joback Calculated Property |
| Cp,gas | 283.75 | J/mol×K | 623.21 | Joback Calculated Property |
| Cp,gas | 291.65 | J/mol×K | 655.70 | Joback Calculated Property |
| Cp,gas | 299.05 | J/mol×K | 688.20 | Joback Calculated Property |
| Cp,gas | 305.99 | J/mol×K | 720.70 | Joback Calculated Property |
| Cp,gas | 312.48 | J/mol×K | 753.20 | Joback Calculated Property |
| Cp,gas | 318.57 | J/mol×K | 785.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Difluorocinnamic acid.
Sources
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