RE245fa2 !Short name 1885-48-9 !CAS number 2,2,2-Trifluoroethyl-difluoromethyl-ether !Full name CHF2OCH2CF3 !Chemical formula {C3H3F5O} HFE-245fa2 !Synonym 150.047336 !Molar mass [g/mol] 250. !Triple point temperature [K] (unknown) 302.4 !Normal boiling point [K] 444.88 !Critical temperature [K] 3433.0 !Critical pressure [kPa] 3.432258 !Critical density [mol/L] 0.387 !Acentric factor 1.631 !Dipole moment [Debye]; DIPPR DIADEM 2012 IIR !Default reference state 10.0 !Version number ???? !UN Number :UN: halocb !Family :Family: ???? !Heating value (upper) [kJ/mol] :Heat: 1S/C3H3F5O/c4-2(5)9-1-3(6,7)8/h2H,1H2 !Standard InChI String :InChi: ZASBKNPRLPFSCA-UHFFFAOYSA-N !Standard InChI Key :InChiKey: ???? !Alternative fluid for mixing rules :AltID: a7275d70 !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 E.W. Lemmon, NIST Physical and Chemical Properties Division, Boulder, Colorado ! 11-20-10 YZ, Original version. ! 12-02-10 MLH, Add ECS transport. ! 04-01-13 SH, Add ancillary equations. ! 04-06-13 EWL, Add dipole moment. ! 04-17-14 EWL, Add surface tension coefficients of Mulero et al. (2014). ! 11-15-17 MLH, Revised critical enhancement, viscosity fit. ________________________________________________________________________________ #EOS !---Equation of state--- FEQ !Helmholtz equation of state for R-E245fa2 of Zhou and Lemmon (2018). :TRUECRITICALPOINT: 444.88 3.432258 !True EOS critical point [K, mol/L] (where dP/dD=0 and d^2P/dD^2=0 at constant T) :DOI: ? ?``````````````````````````````````````````````````````````````````````````````` ?Zhou, Y. and Lemmon, E.W., ?"Equations of State for RE245cb2, RE347mcc, RE245fa2, and R1216," ? to be submitted to J. Phys. Chem. Ref. Data, 2018. ? ?The uncertainties in density of the equation of state range from 0.2 % in the ? compressed liquid region to 1.0 % in the critical and vapor regions. The ? uncertainties in vapor pressure are below 0.5 % at higher temperature, and ? increase substantially at lower temperature due to a lack of experimental data. ? In the critical region, the uncertainties are higher for all properties except ? vapor pressure. ? !``````````````````````````````````````````````````````````````````````````````` 250. !Lower temperature limit [K] 500.0 !Upper temperature limit [K] 400000.0 !Upper pressure limit [kPa] 10.02 !Maximum density [mol/L] CPP !Pointer to Cp0 model 150.047336 !Molar mass [g/mol] 250. !Triple point temperature [K] 8.272 !Pressure at triple point [kPa] 10. !Density at triple point [mol/L] 302.4 !Normal boiling point temperature [K] 0.387 !Acentric factor 444.88 3433.0 3.432258 !Tc [K], pc [kPa], rhoc [mol/L] 444.88 3.432258 !Reducing parameters [K, mol/L] 8.314472 !Gas constant [J/mol-K] 10 4 4 12 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms 0.047771378 1.0 4. 0. !a(i),t(i),d(i),l(i) 1.5745383 0.32 1. 0. -2.4763491 0.91 1. 0. -0.49414564 1.265 2. 0. 0.19380498 0.4266 3. 0. -0.97863158 2.24 1. 2. -0.42660297 1.64 3. 2. 0.85352583 1.65 2. 1. -0.53380114 3.28 2. 2. -0.029780036 0.855 7. 1. 0.97659111 1.227 1. 2. 2. -1.005 -2.0 1.084 0.723 0. 0. 0. -0.33121365 3.0 1. 2. 2. -1.515 -3.42 0.720 0.9488 0. 0. 0. -0.14122591 4.3 3. 2. 2. -1.156 -1.37 0.490 0.8180 0. 0. 0. -15.312295 2.5 3. 2. 2. -17.7 -471.0 1.152 0.891 0. 0. 0. eta beta gamma epsilon EXP[eta*(delta-epsilon)^2+beta*(tau-gamma)^2] #AUX !---Auxiliary function for Cp0 CPP !Ideal gas heat capacity function for R-E245fa2 of Zhou et al. (2010). ? ?``````````````````````````````````````````````````````````````````````````````` ?Zhou, Y. and Lemmon, E.W., 2018. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1.0 8.314472 !Reducing parameters for T, Cp0 1 3 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh 5.259865 0.0 12.12843 486.0 13.25677 1762.0 0.521867 7631.0 #AUX !---Auxiliary function for PX0 PX0 !Helmholtz energy ideal-gas function for R-E245fa2 of Zhou et al. (2010). ? ?``````````````````````````````````````````````````````````````````````````````` ?Zhou, Y. and Lemmon, E.W., 2018. ? !``````````````````````````````````````````````````````````````````````````````` 1 2 3 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau)) 4.259865 1.0 !ai, ti for [ai*log(tau**ti)] terms -16.5388973819732072 0.0 !aj, ti for [ai*tau**ti] terms 10.1324386714417312 1.0 !aj, ti for [ai*tau**ti] terms 12.12843 486.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms 13.25677 1762.0 0.521867 7631.0 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ #TRN !---ECS Transport--- ECS !Extended Corresponding States model (R134a reference); fit to limited data for R-E245fa2. :DOI: 10.6028/NIST.IR.8209 ? ?``````````````````````````````````````````````````````````````````````````````` ?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 ? ?VISCOSITY ? D. Ripple and O. Mater, "Viscosity of Saturated Liquid Phase of Six Halogenated Compounds and Three Mixtures," J. Chem. Eng. Data, 38:560-564, 1993. ? ?Estimated uncertainty along saturated liquid boundary 3-5%. ?Estimated uncertainty in gas phase approximately 10-30%. ? ?THERMAL CONDUCTIVITY ? Perkins, R., Cusco, L., Howley, J., Laesecke, A., Matthes, S., and Ramires, M.L.V., "Thermal Conductivities of Alternatives to CFC-11 for Foam Insulation," J. Chem. Eng. Data, 46(2):428-432, 2001. doi: 10.1021/je990337k ? ?Estimated uncertainty in the gas phase (except near critical) 3-5%. ? Liquid phase data not found, estimated uncertainty for liquid is approximately 10-20%. ? ?The Lennard-Jones parameters were estimated with the method of Chung. ? !``````````````````````````````````````````````````````````````````````````````` 250.0 !Lower temperature limit [K] 500.0 !Upper temperature limit [K] 400000.0 !Upper pressure limit [kPa] 10.02 !Maximum density [mol/L] FEQ R134A.FLD VS1 !Model for reference fluid viscosity TC1 !Model for reference fluid thermal conductivity NUL !Large molecule identifier 1 !Lennard-Jones flag (0 or 1) (0 => use estimates) 0.5363 !Lennard-Jones coefficient sigma [nm] from method Chung 353.28 !Lennard-Jones coefficient epsilon/kappa [K] from Chung method 2 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2 0.001668 0. 0. 0. !Coefficient, power of T, spare1, spare2 -1.3154e-6 1. 0. 0. !Coefficient, power of T, spare1, spare2 2 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2 1.10656 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare -3.37904e-2 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare 2 0 0 !Number of terms in chi (t.c. shape factor): poly,spare1,spare2 0.61384 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare; from fit of re245cb- no data for re245fa 0.12385 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare; from fit of re245cb- no data for re245fa TK3 !Pointer to critical enhancement auxiliary function #AUX !---Auxiliary function for the thermal conductivity critical enhancement TK3 !Simplified thermal conductivity critical enhancement for R-E245fa2 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) 0.212e-9 !Xi0 (amplitude) [m] 0.061 !Gam0 (amplitude) [-] 0.653e-9 !Qd_inverse (modified effective cutoff parameter) [m]; R125 value 667.32 !Tref (reference temperature)=1.5*Tc [K] ******************************************************************************** @ETA !---Viscosity--- VS5 !Pure fluid viscosity model for R-E245fa2 of Chung et al. (1988). ? ?``````````````````````````````````````````````````````````````````````````````` ?Chung, T-H., Ajlan, M., Lee, L.L. and Starling, K.E. ? "Generalized Multiparameter Correlation for Nonpolar and Polar Fluid Transport Properties" ? Ind. Eng. Chem. Res. 1998, 27, 671-679. ? !``````````````````````````````````````````````````````````````````````````````` 250.0 !Lower temperature limit [K] 500.0 !Upper temperature limit [K] 400000.0 !Upper pressure limit [kPa] 10.02 !Maximum density [mol/L] 1 !Number of terms associated with dilute-gas function NUL !Pointer to reduced effective collision cross-section model; not used 0.5363 !Lennard-Jones coefficient sigma [nm] =0.809vc*(1/3)A 353.28 !Lennard-Jones coefficient epsilon/kappa [K] =Tc/1.2593 1.0 1.0 !Reducing parameters for T, eta 0.26161 0.5 !=0.021357*SQRT(MW) [Chapman-Enskog term] 0 !Number of terms for initial density dependence 0.387 0.0 0.0 0. 0 !w, mur, kappa for Chung 0 !Additional parameters for Chung NUL !Pointer to the viscosity critical enhancement auxiliary function (none used) @TCX !---Thermal conductivity--- TC5 !Pure fluid thermal conductivity model for R-E245fa2 of Chung et al. (1988). ? ?``````````````````````````````````````````````````````````````````````````````` ?Chung, T-H., Ajlan, M., Lee, L.L. and Starling, K.E. ? "Generalized Multiparameter Correlation for Nonpolar and Polar Fluid Transport Properties" ? Ind. Eng. Chem. Res. 1998, 27, 671-679. ? !``````````````````````````````````````````````````````````````````````````````` 250. !Lower temperature limit [K] 500.0 !Upper temperature limit [K] 400000.0 !Upper pressure limit [kPa] 10.02 !Maximum density [mol/L] 0.5363 !Lennard-Jones coefficient sigma [nm] =0.809vc*(1/3)A 353.28 !Lennard-Jones coefficient epsilon/kappa [K] =Tc/1.2593 0.387 0. 0. !w, mur, kappa for Chung 0 !Additional parameters for Chung TK3 !Pointer to critical enhancement auxiliary function ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ #STN !---Surface tension--- ST1 !Surface tension model for R-E245fa2 of Mulero et al. (2014). :DOI: 10.1063/1.4878755 ? ?``````````````````````````````````````````````````````````````````````````````` ?Mulero, A. and Cachadiņa, I., ? "Recommended Correlations for the Surface Tension of Several Fluids ? Included in the REFPROP Program," ? J. Phys. Chem. Ref. Data, 43, 023104, 2014. ? doi: 10.1063/1.4878755 ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1 !Number of terms in surface tension model 444.88 !Critical temperature used in fit (dummy) 0.0699 1.222 !Sigma0 and n #PS !---Vapor pressure--- PS5 !Vapor pressure equation for R-E245fa2 of Herrig (2013). ? ?``````````````````````````````````````````````````````````````````````````````` ?Herrig, S., 2013. ? ?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. ! 444.58 3433.0 !Reducing parameters 5 0 0 0 0 0 !Number of terms in equation -8.9235 1.0 10.527 1.5 -23.058 1.9 30.291 2.4 -20.913 2.9 #DL !---Saturated liquid density--- DL1 !Saturated liquid density equation for R-E245fa2 of Herrig (2013). ? ?``````````````````````````````````````````````````````````````````````````````` ?Herrig, S., 2013. ? ?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. ! 444.88 3.432258 !Reducing parameters 5 0 0 0 0 0 !Number of terms in equation 1.2479 0.34 5.5732 0.75 -12.260 1.2 13.964 1.7 -6.0384 2.3 #DV !---Saturated vapor density--- DV3 !Saturated vapor density equation for R-E245fa2 of Herrig (2013). ? ?``````````````````````````````````````````````````````````````````````````````` ?Herrig, S., 2013. ? ?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. ! 444.88 3.432258 !Reducing parameters 5 0 0 0 0 0 !Number of terms in equation -0.6670 0.28 -5.8238 0.66 -26.927 2.6 21.574 3.5 -65.645 5.2 @END c 1 2 3 4 5 6 7 8 c2345678901234567890123456789012345678901234567890123456789012345678901234567890