- InChI
- InChI=1S/C2ClF2N/c3-2(4,5)1-6
- InChI Key
- GUIPZCNIFDPABQ-UHFFFAOYSA-N
- Formula
- C2ClF2N
- SMILES
- N#CC(F)(F)Cl
- Molecular Weight1
- 111.48
- CAS
- 421-05-6
- Other Names
-
- Chlorodifluoroacetonitrile
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.2648 | Relay (1.0) Calculated Property | |
| ΔfG° | -299.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -323.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 5.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 30.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 12.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.342 | Crippen Calculated Property | |
| McVol | 56.200 | ml/mol | McGowan Calculated Property |
| Pc | 4200.18 | kPa | Joback Calculated Property |
| Inp | [392.00; 392.00] |
|
|
| Inp | 392.00 | NIST | |
| Inp | 392.00 | NIST | |
| Tboil | 263.78 | K | Relay (1.0) Calculated Property |
| Tc | 394.41 | K | Relay (1.0) Calculated Property |
| Tfus | 175.25 | K | Relay (1.0) Calculated Property |
| Vc | 0.232 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [92.00; 108.83] | J/mol×K | [379.98; 574.02] |
|
| Cp,gas | 92.00 | J/mol×K | 379.98 | Joback Calculated Property |
| Cp,gas | 95.56 | J/mol×K | 412.32 | Joback Calculated Property |
| Cp,gas | 98.80 | J/mol×K | 444.66 | Joback Calculated Property |
| Cp,gas | 101.72 | J/mol×K | 477.00 | Joback Calculated Property |
| Cp,gas | 104.35 | J/mol×K | 509.34 | Joback Calculated Property |
| Cp,gas | 106.72 | J/mol×K | 541.68 | Joback Calculated Property |
| Cp,gas | 108.83 | J/mol×K | 574.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetonitrile, chlorodifluoro-.
Sources
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