- InChI
- InChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H
- InChI Key
- PIWKPBJCKXDKJR-UHFFFAOYSA-N
- Formula
- C3H2ClF5O
- SMILES
- FC(F)OC(Cl)C(F)(F)F
- Molecular Weight1
- 184.49
- CAS
- 26675-46-7
- Other Names
-
- 1-Chloro-2,2,2-trifluoroethyl difluoromethyl ether
- 2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane
- Aerrane
- Compd 469
- Compound 469
- Ethane, 1-chloro-1-(difluoromethoxy)-2,2,2-trifluoro-
- Ethane, 2-chloro-2-(difluoromethoxy)-1,1,1-trifluoro-
- Ether, 1-chloro-2,2,2-trifluoroethyl difluoromethyl
- Forane
- Forene
- IsoFlo
- R-E 235dal
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- 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
Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [31.70; 31.90] | kJ/mol | [297.50; 312.00] | 
|
| ΔvapH | 31.90 | kJ/mol | 297.50 | NIST |
| ΔvapH | 31.70 | kJ/mol | 312.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [136.84; 238.77] | 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 | 4.11700e+01 | |||
| Coefficient B | 4.29000e-01 | |||
| Coefficient C | -3.09000e-04 | |||
| Coefficient D | 7.76000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 136.84 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 157.70 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 175.61 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 190.81 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 203.54 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 214.04 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 222.58 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 229.38 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 234.69 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 238.77 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 205.38] | kPa | [238.62; 343.03] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.40343e+01 | |||
| Coefficient B | -2.48159e+03 | |||
| Coefficient C | -5.81000e+01 | |||
| Temperature range, min. | 238.62 | |||
| Temperature range, max. | 343.03 | |||
| Pvap | 1.33 | kPa | 238.62 | Calculated Property |
| Pvap | 3.06 | kPa | 250.22 | Calculated Property |
| Pvap | 6.38 | kPa | 261.82 | Calculated Property |
| Pvap | 12.30 | kPa | 273.42 | Calculated Property |
| Pvap | 22.17 | kPa | 285.02 | Calculated Property |
| Pvap | 37.73 | kPa | 296.63 | Calculated Property |
| Pvap | 61.13 | kPa | 308.23 | Calculated Property |
| Pvap | 94.89 | kPa | 319.83 | Calculated Property |
| Pvap | 141.91 | kPa | 331.43 | Calculated Property |
| Pvap | 205.38 | kPa | 343.03 | Calculated Property |
Similar Compounds
Find more compounds similar to Isoflurane.
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).
- IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 11 ChEDL chemicals 1.5.2, from Ambrose, D.; Tsonopoulos, C.; Nikitin, E. D. Vapor-Liquid Critical Properties of Elements and Compounds. 11. Organic Compounds Containing B + O; Halogens + N, + O, + O + S, + S, + Si; N + O; and O + S, + Si. J. Chem. Eng. Data 2009, 54, 669-689.
- 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
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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