- InChI
- InChI=1S/C3H2ClF5O/c4-1(5)3(8,9)10-2(6)7/h1-2H
- InChI Key
- JPGQOUSTVILISH-UHFFFAOYSA-N
- Formula
- C3H2ClF5O
- SMILES
- FC(F)OC(F)(F)C(F)Cl
- Molecular Weight1
- 184.49
- CAS
- 13838-16-9
- Other Names
-
- 2-Chloro-1,1,2-difluoroethane, 1-difluoromethoxy-
- 2-Chloro-1,1,2-trifluoroethyl difluoromethyl ether
- 2-Chloro-1-(difluoromethoxy)-1,1,2-trifluoroethane
- 347
- Alyrane
- Anesthetic 347
- Anesthetic Compound No. 347
- C 347
- Compound 347
- Efrane
- Ethane, 2-chloro-1-(difluoromethoxy)-1,1,2-trifluoro-
- Ether, 2-chloro-1,1,2-trifluoroethyl difluoromethyl
- Ethrane
- Methylflurether
- NSC-115944
- Ohio 347
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Ip : 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.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4285 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ΔfH°gas | -1259.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [32.60; 32.74] | kJ/mol |
|
| ΔvapH° | 32.74 | kJ/mol | NIST |
| ΔvapH° | 32.60 ± 0.10 | kJ/mol | NIST |
| IE | [11.70; 12.20] | eV |
|
| IE | 11.70 | eV | NIST |
| IE | 12.20 | eV | NIST |
| logPoct/wat | 2.353 | Crippen Calculated Property | |
| McVol | 80.090 | ml/mol | McGowan Calculated Property |
| Pc | [2980.00; 2980.00] | kPa |
|
| Pc | 2980.00 | kPa | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 11 Compiled value |
| Pc | 2980.00 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Pc | 2980.00 ± 5.00 | kPa | NIST |
| Inp | [462.00; 494.00] |
|
|
| Inp | 486.00 | NIST | |
| Inp | 478.00 | NIST | |
| Inp | 478.00 | NIST | |
| Inp | 462.00 | NIST | |
| Inp | 494.00 | NIST | |
| Inp | 462.00 | NIST | |
| Inp | 478.00 | NIST | |
| Inp | 486.00 | NIST | |
| Ip | [840.00; 840.00] |
|
|
| Ip | 840.00 | NIST | |
| Ip | 840.00 | NIST | |
| Tboil | [329.70; 330.10] | K |
|
| Tboil | 329.70 | K | NIST |
| Tboil | 330.10 | K | NIST |
| Tc | [474.30; 475.03] | K |
|
| Tc | 474.99 | K | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 11 Compiled value |
| Tc | 475.03 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tc | 475.03 ± 0.02 | K | NIST |
| Tc | 474.30 | K | NIST |
| Tfus | 183.26 | K | Relay (1.0) Calculated Property |
| Vc | 0.335 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
Cheméo can also estimate Standard Gibbs free energy of formation, 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 | [29.10; 33.80] | kJ/mol | [309.50; 343.00] |
|
| ΔvapH | 32.90 | kJ/mol | 309.50 | NIST |
| ΔvapH | 33.80 | kJ/mol | 312.50 | NIST |
| ΔvapH | 31.30 ± 0.10 | kJ/mol | 313.00 | NIST |
| ΔvapH | 30.20 ± 0.10 | kJ/mol | 328.00 | NIST |
| ΔvapH | 30.09 | kJ/mol | 330.10 | NIST |
| ΔvapH | 29.10 ± 0.10 | kJ/mol | 343.00 | 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 |
Similar Compounds
Find more compounds similar to Enflurane.
Sources
- 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.
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.