- InChI
- InChI=1S/C12H3F5O2/c13-4-1-2-5-6(3-4)19-12-10(17)8(15)7(14)9(16)11(12)18-5/h1-3H
- InChI Key
- XDGUWUKXJWYIMN-UHFFFAOYSA-N
- Formula
- C12H3F5O2
- SMILES
-
Fc1ccc2c(c1)Oc1c(F)c(F)c(F)c(F
)c1O2 - Molecular Weight1
- 274.14
- 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 | 0.5686 | Relay (... Calculated Property | |
| ΔfG° | -858.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -841.62 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 42.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.76 | kJ/mol | Relay (... Calculated Property |
| IE | 8.32 | eV | Relay (... Calculated Property |
| log10WS | -7.86 | Relay (... Calculated Property | |
| logPoct/wat | 4.280 | Crippen Calculated Property | |
| McVol | 142.150 | ml/mol | McGowan Calculated Property |
| Pc | 2718.33 | kPa | Joback Calculated Property |
| Inp | 1551.00 | NIST | |
| Tboil | 522.31 | K | Relay (... Calculated Property |
| Tc | 800.01 | K | Relay (... Calculated Property |
| Tfus | 371.76 | K | Relay (... Calculated Property |
| Vc | 0.574 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [352.10; 397.65] | J/mol×K | [619.57; 823.63] | 
|
| Cp,gas | 352.10 | J/mol×K | 619.57 | Joback Calculated Property |
| Cp,gas | 361.01 | J/mol×K | 653.58 | Joback Calculated Property |
| Cp,gas | 369.34 | J/mol×K | 687.59 | Joback Calculated Property |
| Cp,gas | 377.13 | J/mol×K | 721.60 | Joback Calculated Property |
| Cp,gas | 384.42 | J/mol×K | 755.61 | Joback Calculated Property |
| Cp,gas | 391.24 | J/mol×K | 789.62 | Joback Calculated Property |
| Cp,gas | 397.65 | J/mol×K | 823.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,3,4,7-Pentafluoro DBD.
Sources
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