Chemical Properties of Methane, trifluoroiodo- (CAS 2314-97-8)

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

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_gas : Standard gas enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• EA : Electron affinity (eV).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
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	-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	4743.15	kPa	Joback Calculated Property
Tboil	[250.60; 250.60]	K
Tboil	250.60	K	NIST
Tboil	250.60	K	NIST
Tc	410.08	K	Relay (1.0) Calculated Property
Tfus	106.86	K	Relay (1.0) Calculated Property
Vc	0.240	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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
Cp,gas	[72.01; 89.53]	J/mol×K	[310.00; 494.44]
Cp,gas	72.01	J/mol×K	310.00	Joback Calculated Property
Cp,gas	75.80	J/mol×K	340.74	Joback Calculated Property
Cp,gas	79.22	J/mol×K	371.48	Joback Calculated Property
Cp,gas	82.27	J/mol×K	402.22	Joback Calculated Property
Cp,gas	85.00	J/mol×K	432.96	Joback Calculated Property
Cp,gas	87.41	J/mol×K	463.70	Joback Calculated Property
Cp,gas	89.53	J/mol×K	494.44	Joback Calculated Property
ΔvapH	22.50	kJ/mol	242.00	NIST
Pvap	[71.70; 491.70]	kPa	[243.15; 298.15]
Pvap	71.70	kPa	243.15	Vapor Liquid Phase Equilibrium for Azeotropic Isobutane + trans-1,3,3,3-Tetrafluoropropene + Trifluoroiodomethane System at Temperatures from 243.150 to 283.150 K
Pvap	72.70	kPa	243.15	Experimental research on (vapor + liquid) equilibria for the {trifluoroiodomethane (CF3I) + carbon dioxide (CO2)} system from 243.150 to 273.150 K
Pvap	109.00	kPa	253.15	Vapor Liquid Phase Equilibrium for Azeotropic Isobutane + trans-1,3,3,3-Tetrafluoropropene + Trifluoroiodomethane System at Temperatures from 243.150 to 283.150 K
Pvap	110.10	kPa	253.15	Experimental research on (vapor + liquid) equilibria for the {trifluoroiodomethane (CF3I) + carbon dioxide (CO2)} system from 243.150 to 273.150 K
Pvap	133.00	kPa	258.15	(Vapor + liquid) phase equilibrium measurements for {trifluoroiodomethane (R13I1) + propane (R290)} from T = (258.150 to 283.150) K
Pvap	132.00	kPa	258.15	(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
Pvap	133.00	kPa	258.15	Measurements of isothermal (vapor + liquid) phase equilibrium for {trifluoroiodomethane (R13I1) + 1,1-difluoroethane (R152a)} from T = (258.150 to 283.150) K
Pvap	133.00	kPa	258.15	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
Pvap	160.40	kPa	263.15	(Vapor + liquid) phase equilibrium measurements for {trifluoroiodomethane (R13I1) + propane (R290)} from T = (258.150 to 283.150) K
Pvap	160.40	kPa	263.15	Measurements of isothermal (vapor + liquid) phase equilibrium for {trifluoroiodomethane (R13I1) + 1,1-difluoroethane (R152a)} from T = (258.150 to 283.150) K
Pvap	160.40	kPa	263.15	Vapor Liquid Phase Equilibrium for Azeotropic Isobutane + trans-1,3,3,3-Tetrafluoropropene + Trifluoroiodomethane System at Temperatures from 243.150 to 283.150 K
Pvap	160.40	kPa	263.15	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
Pvap	160.40	kPa	263.15	Measurements of (vapour + liquid) equilibrium data for {trifluoroiodomethane (R13I1) + isobutane (R600a)} at temperatures between (263.150 and 293.150) K
Pvap	160.40	kPa	263.15	Experimental research on (vapor + liquid) equilibria for the {trifluoroiodomethane (CF3I) + carbon dioxide (CO2)} system from 243.150 to 273.150 K
Pvap	191.10	kPa	268.15	(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
Pvap	228.40	kPa	273.15	Experimental research on (vapor + liquid) equilibria for the {trifluoroiodomethane (CF3I) + carbon dioxide (CO2)} system from 243.150 to 273.150 K
Pvap	228.40	kPa	273.15	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
Pvap	228.20	kPa	273.15	Vapor Liquid Phase Equilibrium for Azeotropic Isobutane + trans-1,3,3,3-Tetrafluoropropene + Trifluoroiodomethane System at Temperatures from 243.150 to 283.150 K
Pvap	228.40	kPa	273.15	(Vapor + liquid) phase equilibrium measurements for {trifluoroiodomethane (R13I1) + propane (R290)} from T = (258.150 to 283.150) K
Pvap	228.40	kPa	273.15	Measurements of isothermal (vapor + liquid) phase equilibrium for {trifluoroiodomethane (R13I1) + 1,1-difluoroethane (R152a)} from T = (258.150 to 283.150) K
Pvap	228.40	kPa	273.15	Measurements of (vapour + liquid) equilibrium data for {trifluoroiodomethane (R13I1) + isobutane (R600a)} at temperatures between (263.150 and 293.150) K
Pvap	268.40	kPa	278.15	(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
Pvap	316.40	kPa	283.15	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
Pvap	316.50	kPa	283.15	(Vapor + liquid) phase equilibrium measurements for {trifluoroiodomethane (R13I1) + propane (R290)} from T = (258.150 to 283.150) K
Pvap	316.50	kPa	283.15	Measurements of (vapour + liquid) equilibrium data for {trifluoroiodomethane (R13I1) + isobutane (R600a)} at temperatures between (263.150 and 293.150) K
Pvap	316.50	kPa	283.15	Measurements of isothermal (vapor + liquid) phase equilibrium for {trifluoroiodomethane (R13I1) + 1,1-difluoroethane (R152a)} from T = (258.150 to 283.150) K
Pvap	316.30	kPa	283.15	Vapor Liquid Phase Equilibrium for Azeotropic Isobutane + trans-1,3,3,3-Tetrafluoropropene + Trifluoroiodomethane System at Temperatures from 243.150 to 283.150 K
Pvap	367.60	kPa	288.15	(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
Pvap	428.00	kPa	293.15	Measurements of (vapour + liquid) equilibrium data for {trifluoroiodomethane (R13I1) + isobutane (R600a)} at temperatures between (263.150 and 293.150) K
Pvap	491.70	kPa	298.15	(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

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
Pvap	[1.33; 5205.77]	kPa	[179.18; 396.44]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.53780e+01
Coefficient B			-2.70390e+03
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

• 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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