- InChI
- InChI=1S/C2Cl3F3/c3-1(4,5)2(6,7)8
- InChI Key
- BOSAWIQFTJIYIS-UHFFFAOYSA-N
- Formula
- C2Cl3F3
- SMILES
- FC(F)(F)C(Cl)(Cl)Cl
- Molecular Weight1
- 187.38
- CAS
- 26523-64-8
- Other Names
-
- 1,1,1-trichloro-2,2,2-trifluoroethane
- 1,1,1-trichlorotrifluoroethane
- 1,1,1-trifluoro-2,2,2-trichloroethane
- 1,1,1-trifluorotrichloroethane
- 2,2,2-Trichloro-1,1,1-trifluoro-ethane
- CF3CCl3
- CFC 113a
- F 113a
- FC 113a
- Freon FT
- Freon-FT
- Precision cleaning agent
- R-113a
- T-WD602
- ethane, 1,1,1-trichloro-2,2,2-trifluoro-
- freon 113a
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- VCOSTALD : COSTALD Characteristic Volume (m3/kmol).
- ωSRK : SRK acentric factor.
- Zra : Rackett Parameter.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.2351 | Relay (1.0) Calculated Property | |
| ΔfG° | -648.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -708.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 26.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.919 | Crippen Calculated Property | |
| McVol | 81.070 | ml/mol | McGowan Calculated Property |
| Pc | 3819.82 | kPa | Joback Calculated Property |
| Tboil | 319.15 | K | Vapor Liquid Equilibrium for the 1,1,1-Trifluorotrichloroethane + Sulfuryl Chloride System at 101.3 kPa |
| Tc | 480.52 | K | Relay (1.0) Calculated Property |
| Tfus | 287.35 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.304 | m3/kmol | Relay (1.0) Calculated Property |
| VCOSTALD | 0.33 | m3/kmol | Hankinson and Thomson (1979), COSTALD parameters Compiled value |
| ωSRK | 0.26 | Hankinson and Thomson (1979), COSTALD parameters Compiled value | |
| Zra | 0.27 | Hankinson and Thomson (1979), COSTALD parameters Compiled value |
Temperature Dependent Properties
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [109.80; 171.47] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 9.07000e+00 | |||
| Coefficient B | 5.01200e-01 | |||
| Coefficient C | -5.39000e-04 | |||
| Coefficient D | 2.00200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 109.80 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 127.79 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 141.51 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 151.61 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 158.72 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 163.46 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 166.47 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 168.39 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 169.84 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 171.47 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 207.03] | kPa | [229.59; 341.35] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.48158e+01 | |||
| Coefficient B | -3.05174e+03 | |||
| Coefficient C | -1.95350e+01 | |||
| Temperature range, min. | 229.59 | |||
| Temperature range, max. | 341.35 | |||
| Pvap | 1.33 | kPa | 229.59 | Calculated Property |
| Pvap | 3.00 | kPa | 242.01 | Calculated Property |
| Pvap | 6.19 | kPa | 254.43 | Calculated Property |
| Pvap | 11.89 | kPa | 266.84 | Calculated Property |
| Pvap | 21.45 | kPa | 279.26 | Calculated Property |
| Pvap | 36.67 | kPa | 291.68 | Calculated Property |
| Pvap | 59.83 | kPa | 304.10 | Calculated Property |
| Pvap | 93.68 | kPa | 316.51 | Calculated Property |
| Pvap | 141.50 | kPa | 328.93 | Calculated Property |
| Pvap | 207.03 | kPa | 341.35 | Calculated Property |
Similar Compounds
Find more compounds similar to trichlorotrifluoroethane.
Mixtures
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Hankinson and Thomson (1979), COSTALD parameters ChEDL chemicals 1.5.2, from Hankinson, R. W.; Thomson, G. H. A New Correlation for Saturated Densities of Liquids and Their Mixtures. AIChE J. 1979, 25, 653-663.
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Vapor Liquid Equilibrium for the 1,1,1-Trifluorotrichloroethane + Sulfuryl Chloride System at 101.3 kPa
- Solubility Differences of Halocarbon Isomers in Ionic Liquid [emim][Tf2N]
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
- Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
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