- InChI
- InChI=1S/C7H4ClF3/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H
- InChI Key
- DGRVQOKCSKDWIH-UHFFFAOYSA-N
- Formula
- C7H4ClF3
- SMILES
- FC(F)(F)c1ccccc1Cl
- Molecular Weight1
- 180.56
- CAS
- 88-16-4
- Other Names
-
- 1-Chloro-2-(trifluoromethyl)benzene
- 2-(Trifluoromethyl)chlorobenzene
- 2-Chloro(trifluoromethyl)benzene
- 2-Chloro-benzotrifluoride
- 2-Chloro-«alpha»,«alpha»,«alpha»-trifluorotoluene
- 2-Chloro-«alpha»,«alpha»,«alpha»-trifluorotoluene
- NSC 10307
- Toluene, o-chloro-«alpha»,«alpha»,«alpha»-trifluoro-
- Toluene, o-chloro-«alpha»,«alpha»,«alpha»-trifluoro-
- o-(Trifluoromethyl)chlorobenzene
- o-(Trifluoromethyl)phenyl chloride
- o-Chloro-«alpha»,«alpha»,«alpha»-trifluorotoluene
- o-Chloro-«alpha»,«alpha»,«alpha»-trifluorotoluene
- o-Chlorobenzotrifluoride
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor 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° | -482.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -575.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.75 | kJ/mol | Joback Calculated Property |
| IE | 9.47 | eV | NIST |
| log10WS | -3.26 | Crippen Calculated Property | |
| logPoct/wat | 3.359 | Crippen Calculated Property | |
| McVol | 103.280 | ml/mol | McGowan Calculated Property |
| Pc | 3352.86 | kPa | Joback Calculated Property |
| Inp | [883.40; 883.40] |
|
|
| Inp | 883.40 | NIST | |
| Inp | 883.40 | NIST | |
| Inp | 883.40 | NIST | |
| Tboil | 425.40 | K | NIST |
| Tc | 622.89 | K | Joback Calculated Property |
| Tfus | 241.70 | K | Joback Calculated Property |
| Vc | 0.411 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [191.34; 241.55] | J/mol×K | [423.23; 622.89] |
|
| Cp,gas | 191.34 | J/mol×K | 423.23 | Joback Calculated Property |
| Cp,gas | 201.41 | J/mol×K | 456.51 | Joback Calculated Property |
| Cp,gas | 210.74 | J/mol×K | 489.78 | Joback Calculated Property |
| Cp,gas | 219.39 | J/mol×K | 523.06 | Joback Calculated Property |
| Cp,gas | 227.38 | J/mol×K | 556.34 | Joback Calculated Property |
| Cp,gas | 234.75 | J/mol×K | 589.61 | Joback Calculated Property |
| Cp,gas | 241.55 | J/mol×K | 622.89 | Joback Calculated Property |
| ΔfusH | 11.60 | kJ/mol | 264.00 | NIST |
| ΔvapH | 44.60 | kJ/mol | 368.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [312.89; 453.71] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.40359e+01 | |||
| Coefficient B | -3.36228e+03 | |||
| Coefficient C | -6.83280e+01 | |||
| Temperature range, min. | 312.89 | |||
| Temperature range, max. | 453.71 | |||
| Pvap | 1.33 | kPa | 312.89 | Calculated Property |
| Pvap | 3.05 | kPa | 328.54 | Calculated Property |
| Pvap | 6.34 | kPa | 344.18 | Calculated Property |
| Pvap | 12.20 | kPa | 359.83 | Calculated Property |
| Pvap | 21.96 | kPa | 375.48 | Calculated Property |
| Pvap | 37.33 | kPa | 391.12 | Calculated Property |
| Pvap | 60.42 | kPa | 406.77 | Calculated Property |
| Pvap | 93.72 | kPa | 422.42 | Calculated Property |
| Pvap | 140.07 | kPa | 438.06 | Calculated Property |
| Pvap | 202.63 | kPa | 453.71 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-chloro-2-(trifluoromethyl)-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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