- InChI
- InChI=1S/C7H7ClFN/c8-6-3-5(4-10)1-2-7(6)9/h1-3H,4,10H2
- InChI Key
- LQAUXDMGRBWDIU-UHFFFAOYSA-N
- Formula
- C7H7ClFN
- SMILES
- NCc1ccc(F)c(Cl)c1
- Molecular Weight1
- 159.59
- CAS
- 72235-56-4
- 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 | 0.4390 | Relay (1.0) Calculated Property | |
| ΔfG° | -39.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -147.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.938 | Crippen Calculated Property | |
| McVol | 109.720 | ml/mol | McGowan Calculated Property |
| Pc | 3838.78 | kPa | Joback Calculated Property |
| Tboil | 483.42 | K | Relay (1.0) Calculated Property |
| Tc | 705.89 | K | Relay (1.0) Calculated Property |
| Tfus | 278.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.382 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [219.46; 269.27] | J/mol×K | [505.43; 728.11] | 
|
| Cp,gas | 219.46 | J/mol×K | 505.43 | Joback Calculated Property |
| Cp,gas | 229.16 | J/mol×K | 542.54 | Joback Calculated Property |
| Cp,gas | 238.28 | J/mol×K | 579.66 | Joback Calculated Property |
| Cp,gas | 246.82 | J/mol×K | 616.77 | Joback Calculated Property |
| Cp,gas | 254.82 | J/mol×K | 653.88 | Joback Calculated Property |
| Cp,gas | 262.29 | J/mol×K | 691.00 | Joback Calculated Property |
| Cp,gas | 269.27 | J/mol×K | 728.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to C7H7ClFN.
Sources
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