- InChI
- InChI=1S/C6H3F3/c7-4-1-2-5(8)6(9)3-4/h1-3H
- InChI Key
- PEBWOGPSYUIOBP-UHFFFAOYSA-N
- Formula
- C6H3F3
- SMILES
- Fc1ccc(F)c(F)c1
- Molecular Weight1
- 132.08
- CAS
- 367-23-7
- Other Names
-
- 1,3,4-trifluorobenzene
- 1,4,5-trifluorobenzene
- benzene, 1,2,4-trifluoro-
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (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).
- 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).
- ρl : Liquid Density (kg/m3).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.3095 | Relay (1.0) Calculated Property | |
| PAff | 729.50 | kJ/mol | NIST |
| BasG | 699.40 | kJ/mol | NIST |
| ΔfG° | -491.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -470.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [9.30; 9.37] | eV |
|
| IE | 9.30 ± 0.01 | eV | NIST |
| IE | 9.30 ± 0.05 | eV | NIST |
| IE | 9.37 | eV | NIST |
| log10WS | -2.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.104 | Crippen Calculated Property | |
| McVol | 76.950 | ml/mol | McGowan Calculated Property |
| Pc | 3773.04 | kPa | Joback Calculated Property |
| Tboil | 363.00 ± 1.00 | K | NIST |
| Tc | 563.65 | K | Relay (1.0) Calculated Property |
| Tfus | 232.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.310 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [131.45; 170.64] | J/mol×K | [371.13; 553.01] |
|
| Cp,gas | 131.45 | J/mol×K | 371.13 | Joback Calculated Property |
| Cp,gas | 138.81 | J/mol×K | 401.44 | Joback Calculated Property |
| Cp,gas | 145.82 | J/mol×K | 431.76 | Joback Calculated Property |
| Cp,gas | 152.50 | J/mol×K | 462.07 | Joback Calculated Property |
| Cp,gas | 158.86 | J/mol×K | 492.38 | Joback Calculated Property |
| Cp,gas | 164.90 | J/mol×K | 522.70 | Joback Calculated Property |
| Cp,gas | 170.64 | J/mol×K | 553.01 | Joback Calculated Property |
| ρl | [1247.00; 1280.00] | kg/m3 | [296.60; 330.70] |
|
| ρl | 1280.00 | kg/m3 | 296.60 | Liquid-Liquid Equilibria in Binary Mixtures Containing Fluorinated Benzenes and Ionic Liquid 1-Ethyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide |
| ρl | 1247.00 | kg/m3 | 330.70 | Liquid-Liquid Equilibria in Binary Mixtures Containing Fluorinated Benzenes and Ionic Liquid 1-Ethyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 361.20 | K | 101.00 | NIST |
Similar Compounds
Find more compounds similar to 1,2,4-Trifluorobenzene.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Liquid-Liquid Equilibria in Binary Mixtures Containing Fluorinated Benzenes and Ionic Liquid 1-Ethyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide
- Joback Method
- McGowan Method
- NIST Webbook
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