R13I1 !Short name 2314-97-8 !CAS number Trifluoroiodomethane !Full name CF3I !Chemical formula {CF3I} HFC-13I1 !Synonym 195.9104 !Molar mass [g/mol] 195.15 !Triple point temperature [K] 251.291 !Normal boiling point [K] 396.44 !Critical temperature [K] 3953.0 !Critical pressure [kPa] 4.4306 !Critical density [mol/L] 0.176 !Acentric factor 0.92 !Dipole moment [Debye]; Di Giacomo & Smyth, J Am Chem Soc 77:774-777 (1955). IIR !Default reference state 10.0 !Version number ???? !UN Number :UN: halocb !Family :Family: ???? !Heating value (upper) [kJ/mol] :Heat: 1S/CF3I/c2-1(3,4)5 !Standard InChI String :InChi: VPAYJEUHKVESSD-UHFFFAOYSA-N !Standard InChI Key :InChiKey: 7b3b4080 (butane) !Alternative fluid for mixing rules :AltID: d26ca240 !Hash number from InChI Key :Hash: !The fluid files contain general information about the fluid in the first 15 to 20 lines, followed by sections for the ! equations of state, transport equations, and auxiliary equations. Equations of state are listed first. The NIST recommended ! equations begin with a hash mark (#). The secondary equations begin with the @ symbol. These symbols can be swapped to ! select a secondary equation as primary and the primary as secondary. The equation of state section also contains auxiliary ! equations for the ideal gas heat capacity or ideal gas Helmholtz energy. Below the equations of state (both primary and ! secondary) are the transport equations, first viscosity and then thermal conductivity. These are then followed by the ! secondary equations if available. The transport section also contains auxiliary equations required to calculate either the ! dilute gas state or the critical enhancement. At the end of the file are additional but not necessary auxiliary equations, ! including simple equations for the vapor pressure, saturated liquid and vapor densities, melting line (for some fluids), and ! sublimation line (for even fewer fluids). This section also contains the equations for dielectric constant and surface ! tension if available. The sections are divided by different symbols (these being _-+=^*~) to aid the eye in locating a ! particular section. Secondary equations are indented 10 spaces to avoid confusion with the NIST recommended equations. The ! end of the fluid file is marked with @END. Anything below that is ignored. ! compiled by M. McLinden, NIST Thermophysics Division, Boulder, Colorado ! 11-07-96 MM, Original version. ! 04-07-98 MM, Add dipole moment. ! 02-22-99 MM, Add surface tension. ! 07-20-06 EWL, Add preliminary equation of state. ! 11-13-06 MLH, Add LJ parameters. ! 12-21-11 EWL, Minor changes to the EOS to prepare for publication. ! 12-06-12 EWL, Add surface tension coefficients of Mulero et al. (2012). ! 04-01-13 SH, Add ancillary equations. ! 08-04-15 EWL, Change name to R13I1. ! 08-04-15 EWL, Minor update to match new manuscript. Refit the saturated density ancillaries. ! 05-01-16 MLH, Update transport. ! 02-14-17 MLH, Revise ECS transport. ________________________________________________________________________________ #EOS !---Equation of state--- FEQ !Helmholtz equation of state for CF3I (R-13I1) of Lemmon and Span (2015). :TRUECRITICALPOINT: 396.44 4.4306 !True EOS critical point [K, mol/L] (where dP/dD=0 and d^2P/dD^2=0 at constant T) :DOI: 10.1021/acs.jced.5b00684 ? ?``````````````````````````````````````````````````````````````````````````````` ?Lemmon, E.W. and Span, R., ? "Thermodynamic Properties of R-227ea, R-365mfc, R-115, and R-13I1," ? J. Chem. Eng. Data, 60(12):3745-3758, 2015. doi: 10.1021/acs.jced.5b00684 ? ?The uncertainties are 0.1 % in density in the liquid phase, 0.3 % in density ? in the vapor phase, and 0.1 % in vapor pressures and vapor-phase speeds of sounds. ? Uncertainties in other properties in the liquid phase except density are unknown. ? !``````````````````````````````````````````````````````````````````````````````` 195.15 !Lower temperature limit [K] (this needs to be verified) 420. !Upper temperature limit [K] 50000. !Upper pressure limit [kPa] 12.62 !Maximum density [mol/L] CPP !Pointer to Cp0 model 195.9104 !Molar mass [g/mol] 195.15 !Triple point temperature [K] 4.8844 !Pressure at triple point [kPa] 12.61 !Density at triple point [mol/L] 251.291 !Normal boiling point temperature [K] 0.176 !Acentric factor 396.44 3953.0 4.4306 !Tc [K], pc [kPa], rhoc [mol/L] 396.44 4.4306 !Reducing parameters [K, mol/L] 8.3144598 !Gas constant [J/mol-K] 12 4 0 0 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms 1.12191 0.25 1. 0. !a(i),t(i),d(i),l(i) -3.08087 1.125 1. 0. 1.11307 1.5 1. 0. -0.184885 1.375 2. 0. 0.110971 0.25 3. 0. 0.000325 0.875 7. 0. 0.333357 0.625 2. 1. -0.0288288 1.75 5. 1. -0.371554 3.625 1. 2. -0.0997985 3.625 4. 2. -0.0333205 14.5 3. 3. 0.0207882 12.0 4. 3. #AUX !---Auxiliary function for Cp0 CPP !Ideal gas heat capacity function for CF3I (R-13I1) of Lemmon and Span (2015). ? ?``````````````````````````````````````````````````````````````````````````````` ?Lemmon, E.W. and Span, R., 2006. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1.0 8.3144598 !Reducing parameters for T, Cp0 1 1 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh 4.0 0.0 6.2641 694.0 #AUX !---Auxiliary function for PX0 PX0 !Helmholtz energy ideal-gas function for CF3I (R-13I1) of Lemmon and Span (2015). ? ?``````````````````````````````````````````````````````````````````````````````` ?Lemmon, E.W. and Span, R., 2006. ? !``````````````````````````````````````````````````````````````````````````````` 1 2 1 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau)) 3.0 1.0 !ai, ti for [ai*log(tau**ti)] terms -24.6915063028695059 0.0 !aj, ti for [ai*tau**ti] terms 14.2175285511018874 1.0 !aj, ti for [ai*tau**ti] terms 6.2641 694.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms #AUX !---Auxiliary function for PH0 PH0 !Ideal gas Helmholtz form for R-13I1. ? ?``````````````````````````````````````````````````````````````````````````````` ?Lemmon, E.W. and Span, R., 2006. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1 2 1 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau)); cosh; sinh 3.0 1.0 !ai, ti for [ai*log(tau**ti)] terms -24.6914997848 0.0 !aj, ti for [ai*tau**ti] terms 14.2175252628 1.0 6.2641 -1.7505801635 !aj, ti for [ai*log(1-exp(ti*tau)] terms ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ #TRN !---ECS Transport--- ECS !Extended Corresponding States model (R134a reference); predictive mode for R-13I1. :DOI: 10.6028/NIST.IR.8209 ? ?``````````````````````````````````````````````````````````````````````````````` ?*** ESTIMATION METHOD *** NOT STANDARD REFERENCE QUALITY *** ?Huber, M.L., "Models for the Viscosity, Thermal Conductivity, and Surface Tension ? of Selected Pure Fluids as Implemented in REFPROP v10.0," NISTIR 8209, 2018. ? doi: 10.6028/NIST.IR.8209 ? ?Estimated uncertainty for viscosity in the liquid phase along the saturation boundary ? is 5%, 10% in the gas phase. ? ?Estimated uncertainty for thermal conductivity in the gas phase and liquid phases ? is 10%; no data available for liquid phase. ? ?The Lennard-Jones parameters were estimated with the method of Chung. ? !``````````````````````````````````````````````````````````````````````````````` 195.15 !Lower temperature limit [K] (MSDS, Trifluoromethyl Iodide, Synquest labs, 2016) 420.0 !Upper temperature limit [K] 50000.0 !Upper pressure limit [kPa] 14.1 !Maximum density [mol/L] FEQ R134A.FLD VS1 !Model for reference fluid viscosity TC1 !Model for reference fluid thermal conductivity BIG !Large molecule identifier 0.95 0. 0. 0. !Large molecule parameters 1 !Lennard-Jones flag (0 or 1) (0 => use estimates) 0.4926 !Lennard-Jones coefficient sigma [nm] 314.8 !Lennard-Jones coefficient epsilon/kappa [K] for ECS method 2 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2 0.00128541 0. 0. 0. !Coefficient, power of T, spare1, spare2 5.32854e-7 1. 0. 0. !Coefficient, power of T, spare1, spare2 2 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2 1.22725 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare -0.0879263 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare 1 0 0 !Number of terms in chi (t.c. shape factor): poly,spare1,spare2 1.0 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare TK3 !Pointer to critical enhancement auxiliary function #AUX !---Auxiliary function for the thermal conductivity critical enhancement TK3 !Simplified thermal conductivity critical enhancement for R-13I1 of Perkins et al. (2013). ? ?``````````````````````````````````````````````````````````````````````````````` ?Perkins, R.A., Sengers, J.V., Abdulagatov, I.M., and Huber, M.L., ? "Simplified Model for the Critical Thermal-Conductivity Enhancement in Molecular Fluids," ? Int. J. Thermophys., 34(2):191-212, 2013. doi: 10.1007/s10765-013-1409-z ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 9 0 0 0 !# terms: CO2-terms, spare, spare, spare 1.0 1.0 1.0 !Reducing parameters for T, rho, tcx [mW/(m-K)] 0.63 !Nu (universal exponent) 1.239 !Gamma (universal exponent) 1.02 !R0 (universal amplitude) 0.063 !Z (universal exponent--not used for t.c., only viscosity) 1.0 !C (constant in viscosity eqn = 1/[2 - (alpha + gamma)/(2*nu)], but often set to 1) 0.21e-9 !Xi0 (amplitude) [m] 0.057 !Gam0 (amplitude) [-] 0.598e-9 !Qd_inverse (modified effective cutoff parameter) [m] 594.66 !Tref (reference temperature)=1.5*Tc [K] ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ #STN !---Surface tension--- ST1 !Surface tension model for R-13I1 of Mulero et al. (2012). :DOI: 10.1063/1.4768782 ? ?``````````````````````````````````````````````````````````````````````````````` ?Mulero, A., Cachadiņa, I., and Parra, M.I., ? "Recommended Correlations for the Surface Tension of Common Fluids," ? J. Phys. Chem. Ref. Data, 41(4), 043105, 2012. doi: 10.1063/1.4768782 ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1 !Number of terms in surface tension model 396.44 !Critical temperature used in fit (dummy) 0.05767 1.298 !Sigma0 and n #PS !---Vapor pressure--- PS5 !Vapor pressure equation for R-13I1 of Lemmon and Span (2015). ? ?``````````````````````````````````````````````````````````````````````````````` ?Functional Form: P=Pc*EXP[SUM(Ni*Theta^ti)*Tc/T] where Theta=1-T/Tc, Tc and Pc ? are the reducing parameters below, which are followed by rows containing Ni and ti. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 396.44 3953.0 !Reducing parameters 4 0 0 0 0 0 !Number of terms in equation -6.8642 1.0 1.7877 1.5 -1.0619 1.9 -2.1677 3.8 #DL !---Saturated liquid density--- DL1 !Saturated liquid density equation for R-13I1 of Lemmon and Span (2015). ? ?``````````````````````````````````````````````````````````````````````````````` ?Functional Form: D=Dc*[1+SUM(Ni*Theta^ti)] where Theta=1-T/Tc, Tc and Dc are ? the reducing parameters below, which are followed by rows containing Ni and ti. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 396.44 4.4306 !Reducing parameters 5 0 0 0 0 0 !Number of terms in equation 18.776 0.58 -78.705 0.8 149.49 1.0 -130.69 1.2 43.856 1.4 #DV !---Saturated vapor density--- DV3 !Saturated vapor density equation for R-13I1 of Lemmon and Span (2015). ? ?``````````````````````````````````````````````````````````````````````````````` ?Functional Form: D=Dc*EXP[SUM(Ni*Theta^ti)] where Theta=1-T/Tc, Tc and Dc are ? the reducing parameters below, which are followed by rows containing Ni and ti. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 396.44 4.4306 !Reducing parameters 7 0 0 0 0 0 !Number of terms in equation -47.722 0.65 108.57 0.8 -169.0 1.1 171.54 1.4 -82.244 1.75 -40.758 5.8 -83.584 13.0 @END c 1 2 3 4 5 6 7 8 c2345678901234567890123456789012345678901234567890123456789012345678901234567890