- 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-
- Ethane, 2-bromo-2-chloro-1,1,1-trifluoro-
- FREON 123B1
- Fluktan
- Fluorotane
- Fluorothane
- Fluothane
- Ftorotan
- Ftuorotan
- Halan
- Halotan
- Halotano
- Halothan
- Halsan
- NSC 143490
- Narcotan
- Narcotane
- Narcotann ne-spofa
- Narkotan
- Rhodialothan
- 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).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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.
- I : 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 |
|---|---|---|---|
| ΔcH°liquid | -761.60 ± 3.20 | kJ/mol | NIST |
| ΔfG° | -615.68 | kJ/mol | Joback Calculated Property |
| 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. Sol... | |
| log10WS | -1.71 | Estimat... | |
| logPoct/wat | 2.509 | Crippen Calculated Property | |
| McVol | 74.090 | ml/mol | McGowan Calculated Property |
| Pc | 4528.58 | kPa | Joback Calculated Property |
| 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 | |
| I | 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 | 496.30 | K | NIST |
| Tfus | 157.40 ± 0.20 | K | NIST |
| Vc | 0.295 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [112.10; 137.51] | J/mol×K | [342.89; 523.53] |
|
| Cp,gas | 112.10 | J/mol×K | 342.89 | Joback Calculated Property |
| Cp,gas | 117.35 | J/mol×K | 373.00 | Joback Calculated Property |
| Cp,gas | 122.16 | J/mol×K | 403.10 | Joback Calculated Property |
| Cp,gas | 126.55 | J/mol×K | 433.21 | Joback Calculated Property |
| Cp,gas | 130.56 | J/mol×K | 463.31 | Joback Calculated Property |
| Cp,gas | 134.21 | J/mol×K | 493.42 | Joback Calculated Property |
| Cp,gas | 137.51 | J/mol×K | 523.53 | Joback Calculated Property |
| Cp,liquid | 156.60 | J/mol×K | 298.15 | NIST |
| ΔfusH | [4.84; 4.84] | kJ/mol | [154.70; 157.40] |
|
| ΔfusH | 4.84 | kJ/mol | 154.70 | NIST |
| ΔfusH | 4.84 | kJ/mol | 154.70 | NIST |
| ΔfusH | 4.84 | kJ/mol | 157.40 | NIST |
| ΔvapH | [26.80; 34.30] | kJ/mol | [272.50; 343.00] |
|
| ΔvapH | 34.30 | kJ/mol | 272.50 | NIST |
| ΔvapH | 33.20 | kJ/mol | 275.50 | NIST |
| ΔvapH | 30.00 | kJ/mol | 310.50 | NIST |
| ΔvapH | 28.70 ± 0.10 | kJ/mol | 313.00 | NIST |
| ΔvapH | 28.08 | kJ/mol | 323.30 | NIST |
| ΔvapH | 27.80 ± 0.10 | kJ/mol | 328.00 | NIST |
| ΔvapH | 26.80 ± 0.10 | kJ/mol | 343.00 | NIST |
| ΔfusS | 30.70 | J/mol×K | 157.40 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.49; 202.67] | kPa | [223.15; 346.52] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| 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 Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.11666e+02 | |||
| Coefficient B | -7.03230e+03 | |||
| Coefficient C | -1.51373e+01 | |||
| Coefficient D | 2.08113e-05 | |||
| 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 |
Similar Compounds
Find more compounds similar to Halothane.
Sources
- KDB Pure (Korean Thermophysical Properties Databank)
- KDB Vapor Pressure Data
- 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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.