- InChI
- InChI=1S/C8H6FN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2
- InChI Key
- JHQBLYITVCBGTO-UHFFFAOYSA-N
- Formula
- C8H6FN
- SMILES
- N#CCc1ccc(F)cc1
- Molecular Weight1
- 135.14
- CAS
- 459-22-3
- Other Names
-
- Acetonitrile, (p-fluorophenyl)-
- (p-Fluorophenyl)acetonitrile
- p-Fluorobenzyl cyanide
- 4-Fluorobenzeneacetonitrile
- para-Fluorophenylacetonitrile
- 4-Fluorophenylacetonitrile
- 4-Fluorobenzyl cyanide
- 4-Fluorophenylacetic acid nitrile
- 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).
- 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 | 0.4522 | Relay (1.0) Calculated Property | |
| ΔfG° | 57.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 0.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.65 ± 0.04 | eV | NIST |
| log10WS | -2.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.892 | Crippen Calculated Property | |
| McVol | 102.970 | ml/mol | McGowan Calculated Property |
| Pc | 3302.95 | kPa | Joback Calculated Property |
| Tboil | 485.53 | K | Relay (1.0) Calculated Property |
| Tc | 713.82 | K | Relay (1.0) Calculated Property |
| Tfus | 299.99 | K | Relay (1.0) Calculated Property |
| Vc | 0.373 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [209.53; 258.04] | J/mol×K | [515.45; 736.16] | 
|
| Cp,gas | 209.53 | J/mol×K | 515.45 | Joback Calculated Property |
| Cp,gas | 219.03 | J/mol×K | 552.24 | Joback Calculated Property |
| Cp,gas | 227.93 | J/mol×K | 589.02 | Joback Calculated Property |
| Cp,gas | 236.26 | J/mol×K | 625.81 | Joback Calculated Property |
| Cp,gas | 244.04 | J/mol×K | 662.59 | Joback Calculated Property |
| Cp,gas | 251.29 | J/mol×K | 699.38 | Joback Calculated Property |
| Cp,gas | 258.04 | J/mol×K | 736.16 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 392.70 | K | 2.40 | NIST |
Similar Compounds
Find more compounds similar to Benzeneacetonitrile, 4-fluoro-.
Sources
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