- InChI
- InChI=1S/C7H3F3O/c8-5-1-2-6(9)7(10)4(5)3-11/h1-3H
- InChI Key
- XSBAHBVACIKRTG-UHFFFAOYSA-N
- Formula
- C7H3F3O
- SMILES
- O=Cc1c(F)ccc(F)c1F
- Molecular Weight1
- 160.09
- CAS
- 104451-70-9
- 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).
- 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 | 0.4163 | Relay (... Calculated Property | |
| ΔfG° | -592.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -574.79 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 18.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.07 | kJ/mol | Relay (... Calculated Property |
| IE | 9.70 | eV | Relay (... Calculated Property |
| log10WS | -2.25 | Relay (... Calculated Property | |
| logPoct/wat | 1.916 | Crippen Calculated Property | |
| McVol | 92.610 | ml/mol | McGowan Calculated Property |
| Pc | 3607.21 | kPa | Joback Calculated Property |
| Tboil | 443.18 | K | Relay (... Calculated Property |
| Tc | 671.30 | K | Relay (... Calculated Property |
| Tfus | 281.10 | K | Relay (... Calculated Property |
| Vc | 0.349 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [181.21; 220.24] | J/mol×K | [447.65; 636.98] | 
|
| Cp,gas | 181.21 | J/mol×K | 447.65 | Joback Calculated Property |
| Cp,gas | 188.57 | J/mol×K | 479.21 | Joback Calculated Property |
| Cp,gas | 195.57 | J/mol×K | 510.76 | Joback Calculated Property |
| Cp,gas | 202.23 | J/mol×K | 542.32 | Joback Calculated Property |
| Cp,gas | 208.56 | J/mol×K | 573.87 | Joback Calculated Property |
| Cp,gas | 214.56 | J/mol×K | 605.43 | Joback Calculated Property |
| Cp,gas | 220.24 | J/mol×K | 636.98 | Joback Calculated Property |
Similar Compounds
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Sources
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