- InChI
- InChI=1S/C8H6ClF3/c9-5-6-2-1-3-7(4-6)8(10,11)12/h1-4H,5H2
- InChI Key
- XGASTRVQNVVYIZ-UHFFFAOYSA-N
- Formula
- C8H6ClF3
- SMILES
- FC(F)(F)c1cccc(CCl)c1
- Molecular Weight1
- 194.58
- CAS
- 705-29-3
- Other Names
-
- «alpha»'-Chloro-«alpha»,«alpha»,«alpha»-trifluoro-m-xylene
- 3-Trifluoromethylbenzyl chloride
- m-Trifluoromethylbenzyl chloride
- 3-Chloromethylbenzotrifluoride
- «alpha»-Chloro-3-trifluoromethyltoluene
- m-Xylene, «alpha»'-chloro-«alpha»,«alpha»,«alpha»-trifluoro-
- 1-(Chloromethyl)-3-(trifluoromethyl)benzene
- NSC 5227
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3711 | Relay (1.0) Calculated Property | |
| ΔfG° | -474.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -639.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.444 | Crippen Calculated Property | |
| McVol | 117.370 | ml/mol | McGowan Calculated Property |
| Pc | 3009.03 | kPa | Joback Calculated Property |
| Tboil | 444.32 | K | Relay (1.0) Calculated Property |
| Tc | 654.95 | K | Relay (1.0) Calculated Property |
| Tfus | 289.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.425 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [230.05; 286.38] | J/mol×K | [446.11; 643.63] | 
|
| Cp,gas | 230.05 | J/mol×K | 446.11 | Joback Calculated Property |
| Cp,gas | 241.23 | J/mol×K | 479.03 | Joback Calculated Property |
| Cp,gas | 251.64 | J/mol×K | 511.95 | Joback Calculated Property |
| Cp,gas | 261.33 | J/mol×K | 544.87 | Joback Calculated Property |
| Cp,gas | 270.32 | J/mol×K | 577.79 | Joback Calculated Property |
| Cp,gas | 278.66 | J/mol×K | 610.71 | Joback Calculated Property |
| Cp,gas | 286.38 | J/mol×K | 643.63 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 342.00 ± 1.00 | K | 1.60 | NIST |
Similar Compounds
Find more compounds similar to Benzene, 1-(chloromethyl)-3-(trifluoromethyl)-.
Sources
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