- InChI
- InChI=1S/C7H5F3/c8-4-5-2-1-3-6(9)7(5)10/h1-3H,4H2
- InChI Key
- QCUDEATVOVLIKY-UHFFFAOYSA-N
- Formula
- C7H5F3
- SMILES
- FCc1cccc(F)c1F
- Molecular Weight1
- 146.11
- CAS
- 27359-10-0
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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 | 0.3640 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -3369.30 ± 0.50 | kJ/mol | NIST |
| ΔfG° | -483.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -468.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -636.70 ± 1.00 | kJ/mol | NIST |
| ΔfusH° | 16.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.50 | kJ/mol | NIST |
| IE | 9.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.434 | Crippen Calculated Property | |
| McVol | 91.040 | ml/mol | McGowan Calculated Property |
| Pc | 3364.54 | kPa | Joback Calculated Property |
| Tboil | 409.61 | K | Relay (1.0) Calculated Property |
| Tc | 612.78 | K | Relay (1.0) Calculated Property |
| Tfus | 252.70 | K | Relay (1.0) Calculated Property |
| Vc | 0.349 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [165.84; 212.62] | J/mol×K | [394.01; 575.04] | 
|
| Cp,gas | 165.84 | J/mol×K | 394.01 | Joback Calculated Property |
| Cp,gas | 174.61 | J/mol×K | 424.18 | Joback Calculated Property |
| Cp,gas | 182.97 | J/mol×K | 454.35 | Joback Calculated Property |
| Cp,gas | 190.95 | J/mol×K | 484.53 | Joback Calculated Property |
| Cp,gas | 198.54 | J/mol×K | 514.70 | Joback Calculated Property |
| Cp,gas | 205.76 | J/mol×K | 544.87 | Joback Calculated Property |
| Cp,gas | 212.62 | J/mol×K | 575.04 | Joback Calculated Property |
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Sources
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