- InChI
- InChI=1S/C7H4ClFO/c8-7-3-6(9)2-1-5(7)4-10/h1-4H
- InChI Key
- KMQWNQKESAHDKD-UHFFFAOYSA-N
- Formula
- C7H4ClFO
- SMILES
- O=Cc1ccc(F)cc1Cl
- Molecular Weight1
- 158.56
- CAS
- 84194-36-5
- Other Names
-
- Benzaldehyde, 2-chloro-4-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 | 0.4062 | Relay (1.0) Calculated Property | |
| ΔfG° | -205.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -273.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.292 | Crippen Calculated Property | |
| McVol | 101.310 | ml/mol | McGowan Calculated Property |
| Pc | 3920.94 | kPa | Joback Calculated Property |
| Tboil | 472.37 | K | Relay (1.0) Calculated Property |
| Tc | 734.14 | K | Relay (1.0) Calculated Property |
| Tfus | 300.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.369 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [185.94; 227.57] | J/mol×K | [481.56; 697.48] | 
|
| Cp,gas | 185.94 | J/mol×K | 481.56 | Joback Calculated Property |
| Cp,gas | 194.05 | J/mol×K | 517.55 | Joback Calculated Property |
| Cp,gas | 201.67 | J/mol×K | 553.53 | Joback Calculated Property |
| Cp,gas | 208.82 | J/mol×K | 589.52 | Joback Calculated Property |
| Cp,gas | 215.51 | J/mol×K | 625.51 | Joback Calculated Property |
| Cp,gas | 221.75 | J/mol×K | 661.50 | Joback Calculated Property |
| Cp,gas | 227.57 | J/mol×K | 697.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chloro-4-fluorobenzaldehyde.
Sources
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