- InChI
- InChI=1S/C7H3ClFN/c8-6-3-1-2-5(4-10)7(6)9/h1-3H
- InChI Key
- CHKLNKWJIDQKFV-UHFFFAOYSA-N
- Formula
- C7H3ClFN
- SMILES
- N#Cc1cccc(Cl)c1F
- Molecular Weight1
- 155.56
- CAS
- 94087-40-8
- Other Names
-
- 3-Chloro-2-fluorobenzonitrile
- 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 | 0.3914 | Relay (1.0) Calculated Property | |
| ΔfG° | 27.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 21.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.351 | Crippen Calculated Property | |
| McVol | 101.120 | ml/mol | McGowan Calculated Property |
| Pc | 3476.55 | kPa | Joback Calculated Property |
| Tboil | 485.18 | K | Relay (1.0) Calculated Property |
| Tc | 735.20 | K | Relay (1.0) Calculated Property |
| Tfus | 335.29 | K | Relay (1.0) Calculated Property |
| Vc | 0.365 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [188.39; 224.89] | J/mol×K | [534.98; 765.78] | 
|
| Cp,gas | 188.39 | J/mol×K | 534.98 | Joback Calculated Property |
| Cp,gas | 195.62 | J/mol×K | 573.45 | Joback Calculated Property |
| Cp,gas | 202.36 | J/mol×K | 611.91 | Joback Calculated Property |
| Cp,gas | 208.65 | J/mol×K | 650.38 | Joback Calculated Property |
| Cp,gas | 214.48 | J/mol×K | 688.85 | Joback Calculated Property |
| Cp,gas | 219.89 | J/mol×K | 727.31 | Joback Calculated Property |
| Cp,gas | 224.89 | J/mol×K | 765.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzonitrile, 3-chloro-2-fluoro-.
Sources
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