- InChI
- InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H
- InChI Key
- BCQZXOMGPXTTIC-UHFFFAOYSA-N
- Formula
- C2HBrClF3
- SMILES
- FC(F)(F)C(Cl)Br
- Molecular Weight1
- 197.38
- CAS
- 151-67-7
- Other Names
-
- (.+/-.))-Halothane
- 1,1,1-Trifluoro-2-bromo-2-chloroethane
- 1,1,1-Trifluoro-2-chloro-2-bromoethane
- 1-bromo-1-chloro-2,2,2-trifluoroethane
- 2,2,2-Trifluoro-1-chloro-1-bromoethane
- 2-bromo-2-chloro-1,1,1-trifluoroethane
- Alotano
- Anestan
- Bromochlorotrifluoroethane
- CF3CHClBr
- Chalothane
- Ethane, 1-bromo-1-chloro-2,2,2-trifluoro-
- Fluktan
- Fluorotane
- Fluorothane
- Ftorotan
- Ftuorotan
- Halan
- Halotan
- Halotano
- Halothan
- Halsan
- NSC 143490
- Narcotan
- Narcotane
- Narcotann ne-spofa
- Narkotan
- Rhodialothan
- fluothane
- freon 123B1
- halothane
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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.
- Ip : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- 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 | 0.2763 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ΔcH°liquid | -761.60 ± 3.20 | kJ/mol | NIST |
| ΔfH°gas | -699.90 ± 3.80 | kJ/mol | NIST |
| ΔfH°liquid | -720.00 ± 4.90 | kJ/mol | NIST |
| ΔfusH° | 8.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [29.56; 29.80] | kJ/mol |
|
| ΔvapH° | 29.80 | kJ/mol | NIST |
| ΔvapH° | 29.80 ± 0.40 | kJ/mol | NIST |
| ΔvapH° | 29.56 ± 0.33 | kJ/mol | NIST |
| ΔvapH° | 29.60 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 29.60 ± 0.10 | kJ/mol | NIST |
| IE | [11.00; 11.20] | eV |
|
| IE | 11.00 | eV | NIST |
| IE | 11.20 | eV | NIST |
| log10WS | [-1.71; -1.53] |
|
|
| log10WS | -1.53 | Aq. Solubility Prediction | |
| log10WS | -1.71 | Estimated Solubility | |
| logPoct/wat | 2.509 | Crippen Calculated Property | |
| McVol | 74.090 | ml/mol | McGowan Calculated Property |
| Pc | 3951.68 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Inp | [533.00; 555.00] |
|
|
| Inp | 541.00 | NIST | |
| Inp | 543.00 | NIST | |
| Inp | 543.00 | NIST | |
| Inp | 533.00 | NIST | |
| Inp | 555.00 | NIST | |
| Inp | 533.00 | NIST | |
| Inp | 543.00 | NIST | |
| Ip | 858.00 | NIST | |
| Tboil | [323.00; 596.40] | K |
|
| Tboil | 323.40 | K | NIST |
| Tboil | 596.40 ± 0.40 | K | NIST |
| Tboil | 323.00 | K | NIST |
| Tboil | 323.30 | K | NIST |
| Tboil | 323.42 ± 0.01 | K | NIST |
| Tc | [495.00; 496.30] | K |
|
| Tc | 495.00 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tc | 496.30 | K | NIST |
| Tfus | [155.15; 157.40] | K |
|
| Tfus | 155.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 157.40 ± 0.20 | K | NIST |
| Vc | 0.296 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
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Temperature Dependent Properties
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [98.12; 163.07] | 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 | 1.42700e+01 | |||
| Coefficient B | 4.05900e-01 | |||
| Coefficient C | -4.01000e-04 | |||
| Coefficient D | 1.43900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 98.12 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 114.05 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 126.74 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 136.64 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 144.22 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 149.92 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 154.20 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 157.51 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 160.32 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 163.07 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.49; 202.67] | kPa | [223.15; 346.52] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.30696e+01 | |||
| Coefficient B | -2.19144e+03 | |||
| Coefficient C | -6.40470e+01 | |||
| Temperature range, min. | 223.15 | |||
| Temperature range, max. | 346.52 | |||
| Pvap | 0.49 | kPa | 223.15 | Calculated Property |
| Pvap | 1.47 | kPa | 236.86 | Calculated Property |
| Pvap | 3.75 | kPa | 250.57 | Calculated Property |
| Pvap | 8.37 | kPa | 264.27 | Calculated Property |
| Pvap | 16.88 | kPa | 277.98 | Calculated Property |
| Pvap | 31.28 | kPa | 291.69 | Calculated Property |
| Pvap | 54.04 | kPa | 305.40 | Calculated Property |
| Pvap | 88.03 | kPa | 319.10 | Calculated Property |
| Pvap | 136.44 | kPa | 332.81 | Calculated Property |
| Pvap | 202.67 | kPa | 346.52 | Calculated Property |
| Pvap | [0.46; 118.43] | kPa | [222.00; 328.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.11666e+02 | |||
| Coefficient B | -7.03230e+03 | |||
| Coefficient C | -1.51373e+01 | |||
| Coefficient D | 2.08113e-05 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 222.00 | |||
| Temperature range, max. | 328.00 | |||
| Pvap | 0.46 | kPa | 222.00 | Calculated Property |
| Pvap | 1.17 | kPa | 233.78 | Calculated Property |
| Pvap | 2.65 | kPa | 245.56 | Calculated Property |
| Pvap | 5.47 | kPa | 257.33 | Calculated Property |
| Pvap | 10.45 | kPa | 269.11 | Calculated Property |
| Pvap | 18.70 | kPa | 280.89 | Calculated Property |
| Pvap | 31.65 | kPa | 292.67 | Calculated Property |
| Pvap | 51.09 | kPa | 304.44 | Calculated Property |
| Pvap | 79.16 | kPa | 316.22 | Calculated Property |
| Pvap | 118.43 | kPa | 328.00 | Calculated Property |
| Pvap | [0.46; 118.79] | kPa | [222.50; 328.50] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.34131e+01 | |||
| Coefficient B | -2.33960e+03 | |||
| Coefficient C | -5.75810e+01 | |||
| Reference | Bottomley and Seiflow, 1963 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 222.50 | |||
| Temperature range, max. | 328.50 | |||
| Pvap | 0.46 | kPa | 222.50 | Calculated Property |
| Pvap | 1.19 | kPa | 234.28 | Calculated Property |
| Pvap | 2.72 | kPa | 246.06 | Calculated Property |
| Pvap | 5.64 | kPa | 257.83 | Calculated Property |
| Pvap | 10.79 | kPa | 269.61 | Calculated Property |
| Pvap | 19.29 | kPa | 281.39 | Calculated Property |
| Pvap | 32.53 | kPa | 293.17 | Calculated Property |
| Pvap | 52.20 | kPa | 304.94 | Calculated Property |
| Pvap | 80.23 | kPa | 316.72 | Calculated Property |
| Pvap | 118.79 | kPa | 328.50 | Calculated Property |
Similar Compounds
Find more compounds similar to ETHANE, 2-BROMO-2-CHLORO-1,1,1-TRIFLUORO-.
Sources
- KDB Vapor Pressure Data
- 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).
- PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
- Crippen Method
- Activity coefficients at infinite dilution of organic solutes in the ionic liquid 1-ethyl-3-methylimidazolium methanesulfonate
- Interactions of volatile organic compounds with the ionic liquid 1-ethyl-3-methylimidazolium tetracyanoborate
- Interactions of volatile organic compounds with the ionic liquids 1-butyl-1-methylpyrrolidinium tetracyanoborate and 1-butyl-1-methylpyrrolidinium bis(oxalato)borate
- Infinite dilution activity coefficients of volatile organic compounds in two ionic liquids composed of the tris(pentafluoroethyl) trifluorophosphate ([FAP]) anion and a functionalized cation
- Interactions of Volatile Organic Compounds with the Ionic Liquid 1-Butyl-1-methylpyrrolidinium Dicyanamide
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility 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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