- InChI
- InChI=1S/C7H4FN/c8-7-4-2-1-3-6(7)5-9/h1-4H
- InChI Key
- GDHXJNRAJRCGMX-UHFFFAOYSA-N
- Formula
- C7H4FN
- SMILES
- N#Cc1ccccc1F
- Molecular Weight1
- 121.11
- CAS
- 394-47-8
- Other Names
-
- Benzonitrile, o-fluoro-
- o-Cyanofluorobenzene
- o-Fluorobenzonitrile
- 2-Fluorobenzonitrile
- 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 |
|---|---|---|---|
| ΔfG° | 49.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 6.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.78 | kJ/mol | Joback Calculated Property |
| IE | [9.78; 9.78] | eV |
|
| IE | 9.78 | eV | NIST |
| IE | 9.78 | eV | NIST |
| log10WS | -2.16 | Crippen Calculated Property | |
| logPoct/wat | 1.697 | Crippen Calculated Property | |
| McVol | 88.880 | ml/mol | McGowan Calculated Property |
| Pc | 3699.95 | kPa | Joback Calculated Property |
| Tboil | 492.57 | K | Joback Calculated Property |
| Tc | 717.07 | K | Joback Calculated Property |
| Tfus | 273.17 | K | Joback Calculated Property |
| Vc | 0.363 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [169.19; 210.97] | J/mol×K | [492.57; 717.07] |
|
| Cp,gas | 169.19 | J/mol×K | 492.57 | Joback Calculated Property |
| Cp,gas | 177.42 | J/mol×K | 529.99 | Joback Calculated Property |
| Cp,gas | 185.12 | J/mol×K | 567.40 | Joback Calculated Property |
| Cp,gas | 192.30 | J/mol×K | 604.82 | Joback Calculated Property |
| Cp,gas | 198.98 | J/mol×K | 642.24 | Joback Calculated Property |
| Cp,gas | 205.20 | J/mol×K | 679.66 | Joback Calculated Property |
| Cp,gas | 210.97 | J/mol×K | 717.07 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [363.00; 366.50] | K | [2.80; 2.90] |
|
| Tboilr | 363.20 | K | 2.80 | NIST |
| Tboilr | 363.00 | K | 2.80 | NIST |
| Tboilr | 366.50 ± 1.50 | K | 2.90 | NIST |
Similar Compounds
Find more compounds similar to Benzonitrile, 2-fluoro-.
Sources
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