- InChI
- InChI=1S/C6HClF4/c7-4-5(10)2(8)1-3(9)6(4)11/h1H
- InChI Key
- QLDHPPIOYFTGAJ-UHFFFAOYSA-N
- Formula
- C6HClF4
- SMILES
- Fc1cc(F)c(F)c(Cl)c1F
- Molecular Weight1
- 184.52
- CAS
- 1835-61-6
- Other Names
-
- Benzene,3-chloro-1,2,4,5-tetrafluoro-
- 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).
- Tboilr : Boiling point at reduced pressure (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° | -717.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -776.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.99 | kJ/mol | Joback Calculated Property |
| IE | 9.58 ± 0.02 | eV | NIST |
| log10WS | -3.48 | Crippen Calculated Property | |
| logPoct/wat | 2.896 | Crippen Calculated Property | |
| McVol | 90.960 | ml/mol | McGowan Calculated Property |
| Pc | 3302.95 | kPa | Joback Calculated Property |
| Tboil | 417.79 | K | Joback Calculated Property |
| Tc | 600.47 | K | Joback Calculated Property |
| Tfus | 266.16 | K | Joback Calculated Property |
| Vc | 0.385 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [162.68; 193.78] | J/mol×K | [417.79; 600.47] | 
|
| Cp,gas | 162.68 | J/mol×K | 417.79 | Joback Calculated Property |
| Cp,gas | 168.45 | J/mol×K | 448.24 | Joback Calculated Property |
| Cp,gas | 173.98 | J/mol×K | 478.68 | Joback Calculated Property |
| Cp,gas | 179.27 | J/mol×K | 509.13 | Joback Calculated Property |
| Cp,gas | 184.33 | J/mol×K | 539.58 | Joback Calculated Property |
| Cp,gas | 189.17 | J/mol×K | 570.02 | Joback Calculated Property |
| Cp,gas | 193.78 | J/mol×K | 600.47 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 399.00 | K | 98.50 | NIST |
Similar Compounds
Find more compounds similar to 1-Chloro-2,3,5,6-tetrafluorobenzene.
Sources
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