- InChI
- InChI=1S/CF3I/c2-1(3,4)5
- InChI Key
- VPAYJEUHKVESSD-UHFFFAOYSA-N
- Formula
- CF3I
- SMILES
- FC(F)(F)I
- Molecular Weight1
- 195.91
- CAS
- 2314-97-8
- Other Names
-
- CF3I
- CIF3
- Iodotrifluoromethane
- Perfluoromethyl iodide
- Trifluoriodomethane
- trifluoroiodomethane
- trifluoromethyl iodide
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°gas : Standard gas enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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).
- Pvap : Vapor pressure (kPa).
- ρl : Liquid Density (kg/m3).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.1775 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| PAff | 628.00 | kJ/mol | NIST |
| BasG | 598.20 | kJ/mol | NIST |
| ΔcH°gas | -71.55 ± 0.71 | kJ/mol | NIST |
| EA | [1.40; 2.20] | eV |
|
| EA | 1.57 ± 0.20 | eV | NIST |
| EA | 1.40 ± 0.20 | eV | NIST |
| EA | 2.20 ± 0.20 | eV | NIST |
| ΔfH°gas | [-590.50; -587.80] | kJ/mol |
|
| ΔfH°gas | -590.50 ± 0.63 | kJ/mol | Active Thermochemical Tables 1.112, gas-phase enthalpies of formation Compiled value |
| ΔfH°gas | -587.80 ± 3.20 | kJ/mol | NIST |
| ΔfusH° | 4.58 | kJ/mol | Joback Calculated Property |
| IE | [10.00; 10.64] | eV |
|
| IE | 10.28 ± 0.07 | eV | NIST |
| IE | 10.20 | eV | NIST |
| IE | 10.38 ± 0.02 | eV | NIST |
| IE | 10.32 ± 0.03 | eV | NIST |
| IE | 10.23 | eV | NIST |
| IE | 10.50 ± 0.10 | eV | NIST |
| IE | 10.64 ± 0.02 | eV | NIST |
| IE | Outlier 10.00 ± 0.30 | eV | NIST |
| IE | 10.50 | eV | NIST |
| IE | 10.45 ± 0.05 | eV | NIST |
| logPoct/wat | 1.941 | Crippen Calculated Property | |
| McVol | 56.080 | ml/mol | McGowan Calculated Property |
| Pc | [3950.00; 3953.00] | kPa |
|
| Pc | 3950.00 | kPa | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 Compiled value |
| Pc | 3953.00 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tboil | [250.60; 250.60] | K |
|
| Tboil | 250.60 | K | NIST |
| Tboil | 250.60 | K | NIST |
| Tc | [396.00; 396.44] | K |
|
| Tc | 396.00 | K | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 Compiled value |
| Tc | 396.44 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tfus | 106.86 | K | Relay (1.0) Calculated Property |
| Vc | [0.225; 0.226] | m3/kmol |
|
| Vc | 0.225 | m3/kmol | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 Compiled value |
| Vc | 0.226 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Zc | 0.2710000 | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 Compiled value |
Cheméo can also estimate Enthalpy of vaporization at standard conditions, 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
Datasets
Mass density, kg/m3
| Fixed | Measured | |
|---|---|---|
| Temperature, K - Liquid | Pressure, kPa - Liquid | Mass density, kg/m3 - Liquid |
| 298.15 | 2000.00 | 2046.84 |
| Reference | ||
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [70.89; 103.24] | J/mol×K | [298.00; 1200.00] |
NIST
|
| Equation | Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 4.45035e+01 | |||
| Coefficient B | 1.38453e+02 | |||
| Coefficient C | -1.15853e+02 | |||
| Coefficient D | 3.45841e+01 | |||
| Coefficient E | -4.88716e-01 | |||
| Reference | Chase, 1998 | |||
| Comment | F=-609.2155, G=322.2914, H=-589.1072; Data last reviewed in June, 1969 | |||
| Temperature range, min. | 298.00 | |||
| Temperature range, max. | 1200.00 | |||
| Cp,gas | 70.89 | J/mol×K | 298.00 | Calculated Property |
| Cp,gas | 80.37 | J/mol×K | 398.22 | Calculated Property |
| Cp,gas | 87.05 | J/mol×K | 498.44 | Calculated Property |
| Cp,gas | 91.93 | J/mol×K | 598.67 | Calculated Property |
| Cp,gas | 95.48 | J/mol×K | 698.89 | Calculated Property |
| Cp,gas | 98.04 | J/mol×K | 799.11 | Calculated Property |
| Cp,gas | 99.87 | J/mol×K | 899.33 | Calculated Property |
| Cp,gas | 101.19 | J/mol×K | 999.56 | Calculated Property |
| Cp,gas | 102.24 | J/mol×K | 1099.78 | Calculated Property |
| Cp,gas | 103.24 | J/mol×K | 1200.00 | Calculated Property |
| Cp,gas | [103.17; 107.88] | J/mol×K | [1200.00; 6000.00] |
NIST
|
| Equation | Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.07311e+02 | |||
| Coefficient B | 4.20672e-01 | |||
| Coefficient C | -8.31050e-02 | |||
| Coefficient D | 5.64700e-03 | |||
| Coefficient E | -6.52913e+00 | |||
| Reference | Chase, 1998 | |||
| Comment | F=-638.9888, G=410.9475, H=-589.1072; Data last reviewed in June, 1969 | |||
| Temperature range, min. | 1200.00 | |||
| Temperature range, max. | 6000.00 | |||
| Cp,gas | 103.17 | J/mol×K | 1200.00 | Calculated Property |
| Cp,gas | 105.65 | J/mol×K | 1733.33 | Calculated Property |
| Cp,gas | 106.63 | J/mol×K | 2266.67 | Calculated Property |
| Cp,gas | 107.13 | J/mol×K | 2800.00 | Calculated Property |
| Cp,gas | 107.41 | J/mol×K | 3333.33 | Calculated Property |
| Cp,gas | 107.58 | J/mol×K | 3866.67 | Calculated Property |
| Cp,gas | 107.70 | J/mol×K | 4400.00 | Calculated Property |
| Cp,gas | 107.77 | J/mol×K | 4933.33 | Calculated Property |
| Cp,gas | 107.83 | J/mol×K | 5466.67 | Calculated Property |
| Cp,gas | 107.88 | J/mol×K | 6000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 5205.77] | kPa | [179.18; 396.44] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.53780e+01 | |||
| Coefficient B | -2.70390e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Temperature range, min. | 179.18 | |||
| Temperature range, max. | 396.44 | |||
| Pvap | 1.33 | kPa | 179.18 | Calculated Property |
| Pvap | 8.00 | kPa | 203.32 | Calculated Property |
| Pvap | 32.81 | kPa | 227.46 | Calculated Property |
| Pvap | 102.63 | kPa | 251.60 | Calculated Property |
| Pvap | 262.96 | kPa | 275.74 | Calculated Property |
| Pvap | 579.04 | kPa | 299.88 | Calculated Property |
| Pvap | 1133.56 | kPa | 324.02 | Calculated Property |
| Pvap | 2021.75 | kPa | 348.16 | Calculated Property |
| Pvap | 3345.21 | kPa | 372.30 | Calculated Property |
| Pvap | 5205.77 | kPa | 396.44 | Calculated Property |
Similar Compounds
Find more compounds similar to Methane, trifluoroiodo-.
Mixtures
- Methane, trifluoroiodo- + Ethane, 1,1-difluoro-
- Carbon dioxide + Methane, trifluoroiodo-
- Methane, trifluoroiodo- + Isobutane
- Propane + Methane, trifluoroiodo-
- Methane, trifluoroiodo- + Ethane, 1,1,2,2-tetrafluoro-
Sources
- Active Thermochemical Tables 1.112, gas-phase enthalpies of formation ChEDL chemicals 1.5.2, from Active Thermochemical Tables (ATcT), version 1.112, Argonne National Laboratory; Ruscic, B. et al. Active Thermochemical Tables: Thermochemistry for the 21st Century. J. Phys.: Conf. Ser. 2005, 16, 561.
- IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 10 ChEDL chemicals 1.5.2, from Marsh, K. N.; Abramson, A.; Ambrose, D.; Morton, D. W.; Nikitin, E.; Tsonopoulos, C.; Young, C. L. Vapor-Liquid Critical Properties of Elements and Compounds. 10. Organic Compounds Containing Halogens. J. Chem. Eng. Data 2007, 52, 1509-1538.
- 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
- Phase equilibrium for the binary azeotropic mixture of trifluoroiodomethane (R13I1) + 1,1,2,2-tetrafluoroethane (R134) at temperatures from 258.150 to 283.150 K
- Gaseous PVTx measurements for propane (R290) + trifluoroiodomethane (R13I1) system
- (Vapour + liquid) equilibrium data for the binary system of {trifluoroiodomethane (R13I1) + trans-1, 3, 3, 3-tetrafluoropropene (R1234ze (E))} at various temperatures from (258.150 to 298.150) K
- Measurements of (vapour + liquid) equilibrium data for {trifluoroiodomethane (R13I1) + isobutane (R600a)} at temperatures between (263.150 and 293.150) K
- (Vapor + liquid) phase equilibrium measurements for {trifluoroiodomethane (R13I1) + propane (R290)} from T = (258.150 to 283.150) K
- Measurements of isothermal (vapor + liquid) phase equilibrium for {trifluoroiodomethane (R13I1) + 1,1-difluoroethane (R152a)} from T = (258.150 to 283.150) K
- Experimental research on (vapor + liquid) equilibria for the {trifluoroiodomethane (CF3I) + carbon dioxide (CO2)} system from 243.150 to 273.150 K
- Vapor Liquid Phase Equilibrium for Azeotropic Isobutane + trans-1,3,3,3-Tetrafluoropropene + Trifluoroiodomethane System at Temperatures from 243.150 to 283.150 K
- Isochoric p-rho-T Measurements for trans-1,3,3,3-Tetrafluoropropene [R-1234ze(E)] and Trifluoroiodomethane (R13I1) at Temperatures from (205 to 353) K under Pressures up to 40 MPa
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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