- InChI
- InChI=1S/C12H4F4O2/c13-5-1-3-7-11(9(5)15)18-8-4-2-6(14)10(16)12(8)17-7/h1-4H
- InChI Key
- NATCITNWZSCRQV-UHFFFAOYSA-N
- Formula
- C12H4F4O2
- SMILES
- Fc1ccc2c(c1F)Oc1ccc(F)c(F)c1O2
- Molecular Weight1
- 256.15
- 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° | -653.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -835.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.63 | kJ/mol | Joback Calculated Property |
| log10WS | -4.31 | Crippen Calculated Property | |
| logPoct/wat | 4.141 | Crippen Calculated Property | |
| McVol | 140.380 | ml/mol | McGowan Calculated Property |
| Pc | 2896.73 | kPa | Joback Calculated Property |
| Inp | [1577.00; 1577.00] |
|
|
| Inp | 1577.00 | NIST | |
| Inp | 1577.00 | NIST | |
| Tboil | 615.32 | K | Joback Calculated Property |
| Tc | 827.93 | K | Joback Calculated Property |
| Tfus | 434.16 | K | Joback Calculated Property |
| Vc | 0.572 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [345.22; 393.78] | J/mol×K | [615.32; 827.93] |
|
| Cp,gas | 345.22 | J/mol×K | 615.32 | Joback Calculated Property |
| Cp,gas | 354.82 | J/mol×K | 650.76 | Joback Calculated Property |
| Cp,gas | 363.74 | J/mol×K | 686.19 | Joback Calculated Property |
| Cp,gas | 372.05 | J/mol×K | 721.63 | Joback Calculated Property |
| Cp,gas | 379.79 | J/mol×K | 757.06 | Joback Calculated Property |
| Cp,gas | 387.01 | J/mol×K | 792.50 | Joback Calculated Property |
| Cp,gas | 393.78 | J/mol×K | 827.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,6,7-Tetrafluoro-DBD.
Sources
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