- InChI
- InChI=1S/C7H5Cl2F/c8-7(9)5-2-1-3-6(10)4-5/h1-4,7H
- InChI Key
- MVRCPAOYPLZMLB-UHFFFAOYSA-N
- Formula
- C7H5Cl2F
- SMILES
- Fc1cccc(C(Cl)Cl)c1
- Molecular Weight1
- 179.02
- CAS
- 402-64-2
- Other Names
-
- 1-(dichloromethyl)-3-fluorobenzene
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -110.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -195.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.68 | kJ/mol | Joback Calculated Property |
| log10WS | -3.45 | Crippen Calculated Property | |
| logPoct/wat | 3.302 | Crippen Calculated Property | |
| McVol | 111.980 | ml/mol | McGowan Calculated Property |
| Pc | 3522.09 | kPa | Joback Calculated Property |
| Inp | [1106.00; 1106.00] |
|
|
| Inp | 1106.00 | NIST | |
| Inp | 1106.00 | NIST | |
| Tboil | 464.91 | K | Joback Calculated Property |
| Tc | 685.73 | K | Joback Calculated Property |
| Tfus | 253.02 | K | Joback Calculated Property |
| Vc | 0.429 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [195.41; 243.76] | J/mol×K | [464.91; 685.73] |
|
| Cp,gas | 195.41 | J/mol×K | 464.91 | Joback Calculated Property |
| Cp,gas | 204.98 | J/mol×K | 501.71 | Joback Calculated Property |
| Cp,gas | 213.90 | J/mol×K | 538.52 | Joback Calculated Property |
| Cp,gas | 222.22 | J/mol×K | 575.32 | Joback Calculated Property |
| Cp,gas | 229.94 | J/mol×K | 612.13 | Joback Calculated Property |
| Cp,gas | 237.11 | J/mol×K | 648.93 | Joback Calculated Property |
| Cp,gas | 243.76 | J/mol×K | 685.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-dichloromethyl-3-fluoro.
Sources
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