- InChI
- InChI=1S/C8H5ClFN/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4H2
- InChI Key
- ZGSAFMIRVLOISC-UHFFFAOYSA-N
- Formula
- C8H5ClFN
- SMILES
- N#CCc1c(F)cccc1Cl
- Molecular Weight1
- 169.58
- CAS
- 75279-55-9
- Other Names
-
- 2-Chloro-6-fluorophenylacetonitrile
- Benzeneacetonitrile, 2-chloro-6-fluoro-
- 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 | 0.4648 | Relay (1.0) Calculated Property | |
| ΔfG° | 36.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -4.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.545 | Crippen Calculated Property | |
| McVol | 115.210 | ml/mol | McGowan Calculated Property |
| Pc | 3114.04 | kPa | Joback Calculated Property |
| Tboil | 508.82 | K | Relay (1.0) Calculated Property |
| Tc | 760.42 | K | Relay (1.0) Calculated Property |
| Tfus | 363.70 | K | Relay (1.0) Calculated Property |
| Vc | 0.408 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [229.97; 273.04] | J/mol×K | [557.86; 784.34] | 
|
| Cp,gas | 229.97 | J/mol×K | 557.86 | Joback Calculated Property |
| Cp,gas | 238.45 | J/mol×K | 595.61 | Joback Calculated Property |
| Cp,gas | 246.38 | J/mol×K | 633.35 | Joback Calculated Property |
| Cp,gas | 253.78 | J/mol×K | 671.10 | Joback Calculated Property |
| Cp,gas | 260.68 | J/mol×K | 708.85 | Joback Calculated Property |
| Cp,gas | 267.09 | J/mol×K | 746.59 | Joback Calculated Property |
| Cp,gas | 273.04 | J/mol×K | 784.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chloro-6-fluorobenzyl cyanide.
Sources
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