- InChI
- InChI=1S/C7H2ClF5/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h1H2
- InChI Key
- ZLNVRXFZTPRLIK-UHFFFAOYSA-N
- Formula
- C7H2ClF5
- SMILES
- Fc1c(F)c(F)c(CCl)c(F)c1F
- Molecular Weight1
- 216.54
- CAS
- 653-35-0
- Other Names
-
- «alpha»-Chloro-2,3,4,5,6-pentafluorotoluene
- (chloromethyl)pentafluorobenzene
- 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 | 0.4427 | Relay (1.0) Calculated Property | |
| ΔfG° | -913.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -761.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.121 | Crippen Calculated Property | |
| McVol | 106.820 | ml/mol | McGowan Calculated Property |
| Pc | 2781.78 | kPa | Joback Calculated Property |
| Tboil | 431.69 | K | Relay (1.0) Calculated Property |
| Tc | 624.90 | K | Relay (1.0) Calculated Property |
| Tfus | 289.50 | K | Relay (1.0) Calculated Property |
| Vc | 0.406 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [206.96; 241.91] | J/mol×K | [444.92; 618.30] | 
|
| Cp,gas | 206.96 | J/mol×K | 444.92 | Joback Calculated Property |
| Cp,gas | 213.37 | J/mol×K | 473.82 | Joback Calculated Property |
| Cp,gas | 219.54 | J/mol×K | 502.71 | Joback Calculated Property |
| Cp,gas | 225.48 | J/mol×K | 531.61 | Joback Calculated Property |
| Cp,gas | 231.19 | J/mol×K | 560.51 | Joback Calculated Property |
| Cp,gas | 236.67 | J/mol×K | 589.40 | Joback Calculated Property |
| Cp,gas | 241.91 | J/mol×K | 618.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, (chloromethyl)pentafluoro-.
Sources
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