- InChI
- InChI=1S/C7H2F3N/c8-5-2-1-4(3-11)6(9)7(5)10/h1-2H
- InChI Key
- KTPHYLJFAZNALV-UHFFFAOYSA-N
- Formula
- C7H2F3N
- SMILES
- N#Cc1ccc(F)c(F)c1F
- Molecular Weight1
- 157.09
- CAS
- 143879-80-5
- 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 | 0.4212 | Relay (... Calculated Property | |
| ΔfG° | -359.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -288.33 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 17.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.67 | kJ/mol | Relay (... Calculated Property |
| IE | 10.09 | eV | Relay (... Calculated Property |
| log10WS | -2.75 | Relay (... Calculated Property | |
| logPoct/wat | 1.976 | Crippen Calculated Property | |
| McVol | 92.420 | ml/mol | McGowan Calculated Property |
| Pc | 3213.68 | kPa | Joback Calculated Property |
| Tboil | 445.82 | K | Relay (... Calculated Property |
| Tc | 666.43 | K | Relay (... Calculated Property |
| Tfus | 308.87 | K | Relay (... Calculated Property |
| Vc | 0.347 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [184.66; 219.52] | J/mol×K | [501.07; 705.21] | 
|
| Cp,gas | 184.66 | J/mol×K | 501.07 | Joback Calculated Property |
| Cp,gas | 191.32 | J/mol×K | 535.09 | Joback Calculated Property |
| Cp,gas | 197.63 | J/mol×K | 569.12 | Joback Calculated Property |
| Cp,gas | 203.60 | J/mol×K | 603.14 | Joback Calculated Property |
| Cp,gas | 209.23 | J/mol×K | 637.16 | Joback Calculated Property |
| Cp,gas | 214.54 | J/mol×K | 671.18 | Joback Calculated Property |
| Cp,gas | 219.52 | J/mol×K | 705.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,4-Trifluorobenzonitrile.
Sources
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