R236fa !Short name 690-39-1 !CAS number 1,1,1,3,3,3-Hexafluoropropane !Full name CF3CH2CF3 !Chemical formula {C3H2F6} HFC-236fa !Synonym 152.0384 !Molar mass [g/mol] 179.6 !Triple point temperature [K] 271.66 !Normal boiling point [K] 398.07 !Critical temperature [K] 3200.0 !Critical pressure [kPa] 3.626 !Critical density [mol/L] 0.377 !Acentric factor 1.982 !Dipole moment [Debye]; Goodwin & Mehl (1997) IJT 18:795-806 IIR !Default reference state 10.0 !Version number ???? !UN Number :UN: halocb !Family :Family: ???? !Heating value (upper) [kJ/mol] :Heat: 9810. !GWP (IPCC 2007) :GWP: 55000. !RCL (ppm v/v, ASHRAE Standard 34, 2010) :RCL: A1 !Safety Group (ASHRAE Standard 34, 2010) :Safety: 1S/C3H2F6/c4-2(5,6)1-3(7,8)9/h1H2 !Standard InChI String :InChi: NSGXIBWMJZWTPY-UHFFFAOYSA-N !Standard InChI Key :InChiKey: ???? !Alternative fluid for mixing rules :AltID: 77fa2150 !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 Physical and Chemical Properties Division, Boulder, Colorado ! 05-29-97 MM, Original version. ! 05-21-02 MLH, Add new transport coefficients. ! 04-19-04 MLH, Update transport references. ! 08-17-10 IDC, Add ancillary equations. ! 01-30-12 EWL, Add equation of state of Pan et al. ! 12-06-12 EWL, Add surface tension coefficients of Mulero et al. (2012). ! 03-07-13 MLH, Refit ECS viscosity and tcon with new Pan EOS and new vis data of Meng 2011. ! 02-16-17 KG, Add ancillary equations. ! 11-18-17 MLH, Revised critical enhancment. ________________________________________________________________________________ #EOS !---Equation of state--- FEQ !Helmholtz equation of state for R-236fa of Pan et al. (2012). :TRUECRITICALPOINT: 398.07 3.626 !True EOS critical point [K, mol/L] (where dP/dD=0 and d^2P/dD^2=0 at constant T) :DOI: 10.1016/j.fluid.2012.02.012 ? ?``````````````````````````````````````````````````````````````````````````````` ?Pan, J., Rui, X., Zhao, X., and Qiu, L., ? "An Equation of State for the Thermodynamic Properties of ? 1,1,1,3,3,3-Hexafluoropropane (HFC-236fa)," ? Fluid Phase Equilib., 321:10-16, 2012. doi: 10.1016/j.fluid.2012.02.012 ? ?The uncertainties in density of the equation of state are estimated to be ? 0.1% in the compressed liquid region, and 0.5% in the vapor region. The ? uncertainties in vapor pressure are 0.2% at temperature from 280 K to 380 K, ? and 0.4% at temperature above 380 K. The uncertainty in speed of sound in ? the gas region is 0.1%. ? !``````````````````````````````````````````````````````````````````````````````` 179.6 !Lower temperature limit [K] 400.0 !Upper temperature limit [K] 70000.0 !Upper pressure limit [kPa] 11.235 !Maximum density [mol/L] CPP !Pointer to Cp0 model 152.0384 !Molar mass [g/mol] 179.6 !Triple point temperature [K] 0.1603 !Pressure at triple point [kPa] 11.235 !Density at triple point [mol/L] 271.66 !Normal boiling point temperature [K] 0.377 !Acentric factor 398.07 3200.0 3.626 !Tc [K], pc [kPa], rhoc [mol/L] 398.07 3.626 !Reducing parameters [K, mol/L] 8.314472 !Gas constant [J/mol-K] 10 4 5 12 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms 0.04453255 1.07 4. 0. !a(i),t(i),d(i),l(i) 1.777017 0.222 1. 0. -2.230519 0.66 1. 0. -0.6708606 1.33 2. 0. 0.1587907 0.227 3. 0. -1.425119 2.33 1. 2. -0.6461628 1.94 3. 2. 0.8469985 1.53 2. 1. -0.5635356 2.65 2. 2. -0.01535611 0.722 7. 1. 1.156362 1.11 1. 2. 2. -1.02 -1.42 1.13 0.712 0. 0. 0. -0.4070310 2.31 1. 2. 2. -1.336 -2.31 0.67 0.91 0. 0. 0. -0.2172753 3.68 3. 2. 2. -1.055 -0.89 0.46 0.677 0. 0. 0. -1.007176 4.23 3. 2. 2. -5.84 -80.0 1.28 0.718 0. 0. 0. -0.00006902909 0.614 2. 2. 2. -16.2 -108.0 1.2 1.64 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-236fa of Pan et al. (2012). ? ?``````````````````````````````````````````````````````````````````````````````` ?Pan, J., Rui, X., Zhao, X., and Qiu, L., 2012. ? !``````````````````````````````````````````````````````````````````````````````` 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 10.175 0.0 9.8782 962.0 18.236 2394.0 49.934 5188.0 #AUX !---Auxiliary function for PX0 PX0 !Helmholtz energy ideal-gas function for R-236fa of Pan et al. (2012). ? ?``````````````````````````````````````````````````````````````````````````````` ?Pan, J., Rui, X., Zhao, X., and Qiu, L., 2012. ? !``````````````````````````````````````````````````````````````````````````````` 1 2 3 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau)) 9.175 1.0 !ai, ti for [ai*log(tau**ti)] terms -17.5984116945361393 0.0 !aj, ti for [ai*tau**ti] terms 8.8715179690698527 1.0 !aj, ti for [ai*tau**ti] terms 9.8782 962.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms 18.236 2394.0 49.934 5188.0 #AUX !---Auxiliary function for PH0 PH0 !Ideal gas Helmholtz form for R-236fa. ? ?``````````````````````````````````````````````````````````````````````````````` ?Pan, J., Rui, X., Zhao, X., and Qiu, L., 2012. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1 2 3 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau)); cosh; sinh 9.175 1.0 !ai, ti for [ai*log(tau**ti)] terms -17.5983848631 0.0 !aj, ti for [ai*tau**ti] terms 8.8715044883 1.0 9.8782 -2.4166603864 !aj, ti for [ai*log(1-exp(ti*tau)] terms 18.236 -6.0140176351 49.934 -13.0328836637 -------------------------------------------------------------------------------- @EOS !---Equation of state--- BWR !MBWR equation of state for R-236fa of Outcalt and McLinden (1995). ? ?``````````````````````````````````````````````````````````````````````````````` ?Outcalt, S.L. and McLinden, M.O., ? "An equation of state for the thermodynamic properties of R236fa," ? NIST report to sponsor (U.S. Navy, David Taylor Model Basin) under ? contract N61533-94-F-0152, 1995. ? ?The uncertainties are 1% in density, 1% in vapor pressure, and 5% in ? heat capacities. ? !``````````````````````````````````````````````````````````````````````````````` 179.52 !Lower temperature limit [K] 500.0 !Upper temperature limit [K] 40000.0 !Upper pressure limit [kPa] 11.30 !Maximum density [mol/L] CP1 !Pointer to Cp0 model 152.0393 !Molar mass [g/mol] 179.52 !Triple point temperature [K] 0.162 !Pressure at triple point [kPa] 11.29 !Density at triple point [mol/L] 271.71 !Normal boiling point temperature [K] 0.37721 !Acentric factor 398.07 3200.0 3.626 !Tc [K], pc [kPa], rhoc [mol/L] 398.07 3.626 !Reducing parameters [K, mol/L] 3.626 !gamma 0.08314471 !Gas constant [L-bar/mol-K] 32 1 !Nterm, Ncoeff per term -0.0661121874831 8.61763902745 -233.732255968 43748.6232843 -5396777.61508 -0.00757588552002 10.7379563512 -10662.6588551 -103047.455432 -0.00194868091617 4.38365228107 -1112.0784388 -0.263710051508 47.7521163113 1978.04035098 -4.85710898935 0.144821196401 -22.1059322936 0.926270169913 5779206.66161 -985511065.626 197199.808018 0.319420123094e+10 7929.46107314 -693606.29561 84.9836259084 2097020.51124 1.10600369167 95.3714711849 -0.00881815206562 9.73194908842 -935.516922205 @AUX !---Auxiliary function for Cp0 CP1 !Ideal gas heat capacity function for R-236fa of Outcalt & McLinden (1995). ? ?``````````````````````````````````````````````````````````````````````````````` ?Outcalt, S.L. and McLinden, M.O., ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1.0 1.0 !Reducing parameters for T, Cp0 3 0 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh 53.4662555 0.0 0.228092134 1.0 0.0000352999168 2.0 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ #TRN !---ECS Transport--- ECS !Extended Corresponding States model (Propane reference); fitted to data for R-236fa. :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 ? ?THERMAL CONDUCTIVITY ? The ECS parameters for thermal conductivity were based in part on the data of: ? 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 ? Geller, V., Bivens, D.B., and Yokozeki, A., "Transport Properties and Surface Tension of Hydrofluorocarbons HFC236fa and HFC 245fa," Proc. 20th Int. Congress of Refrig, IIR/IIF, Sydney, 1999. ? Perkins, R., NIST Div. 838.07, 325 Broadway, Boulder CO 80305, perkins@boulder.nist.gov, personal communication, 2002. ? Average absolute deviations of the fit from the experimental data are: ? Perkins, 2001: 1.15%; Geller: 13.89%; Perkins, 2002: 0.36%. ? Overall: 1.41%. ? ?VISCOSITY ? The ECS parameters for viscosity were based in part on the data of: ? Meng, X., Zhang, J., and Wu, J., "Compressed Liquid Viscosity of 1,1,1,3,3-Pentafluoropropane (R245fa) and 1,1,1,3,3,3-Hexafluoropropane (R236fa)," J. Chem. Eng. Data, 56:4956-4964, 2011. doi: 10.1021/je200854k ? Laesecke, A. and Defibaugh, D.R., "Viscosity of 1,1,1,2,3,3-Hexafluoropropane and 1,1,1,3,3,3-Hexafluoropropane at Saturated-Liquid Conditions from 262 K to 353 K," J. Chem. Eng. Data, 41(1):59-62, 1996. doi: 10.1021/je950206t ? Average absolute deviations of the fit from the experimental data are: ? Laesecke: 0.52%; Meng: 0.34%. ? ?The Lennard-Jones parameters were estimated. ? !``````````````````````````````````````````````````````````````````````````````` 179.52 !Lower temperature limit [K] 500.0 !Upper temperature limit [K] 60000.0 !Upper pressure limit [kPa] 11.30 !Maximum density [mol/L] FEQ PROPANE.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) 0.5644 !Lennard-Jones coefficient sigma [nm] for ECS method !from scaling R134a 307.24 !Lennard-Jones coefficient epsilon/kappa [K] for ECS method !from scaling R134a 2 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2 0.00100946 0. 0. 0. !Coefficient, power of T, spare1, spare2 1.21255e-6 1. 0. 0. !Coefficient, power of T, spare1, spare2 3 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2 1.08017 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare -0.026407 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare 0.00605762 0. 2. 0. !Coefficient, power of Tr, power of Dr, spare 2 0 0 !Number of terms in chi (t.c. shape factor): poly,spare1,spare2 1.29118 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare -0.0785568 0. 1. 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-236fa 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) 0.209e-9 !Xi0 (amplitude) [m] 0.060 !Gam0 (amplitude) [-] 0.641e-9 !Qd_inverse (modified effective cutoff parameter) [m]; generic number, not fitted to data 597.105 !Tref (reference temperature)=1.5*Tc [K] ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ #STN !---Surface tension--- ST1 !Surface tension model for R-236fa 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 398.07 !Critical temperature used in fit (dummy) 0.05389 1.249 !Sigma0 and n #PS !---Vapor pressure--- PS5 !Vapor pressure equation for R-236fa of Gao (2017). ? ?``````````````````````````````````````````````````````````````````````````````` ?Gao, K., 2017. ? ?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. ! 398.07 3200.0 !Reducing parameters 4 0 0 0 0 0 !Number of terms in equation -8.1978 1.0 3.5942 1.5 -3.7047 2.0 -5.5891 4.8 #DL !---Saturated liquid density--- DL1 !Saturated liquid density equation for R-236fa of Gao (2017). ? ?``````````````````````````````````````````````````````````````````````````````` ?Gao, K., 2017. ? ?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. ! 398.07 3.626 !Reducing parameters 6 0 0 0 0 0 !Number of terms in equation 8.0698 0.5 -27.224 0.8 64.951 1.1 -77.118 1.4 49.269 1.8 -15.134 2.2 #DV !---Saturated vapor density--- DV3 !Saturated vapor density equation for R-236fa of Gao (2017). ? ?``````````````````````````````````````````````````````````````````````````````` ?Gao, K., 2017. ? ?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. ! 398.07 3.626 !Reducing parameters 5 0 0 0 0 0 !Number of terms in equation -3.5310 0.425 -7.9365 1.35 -26.088 3.5 -70.949 7.2 -173.18 15.0 @END c 1 2 3 4 5 6 7 8 c2345678901234567890123456789012345678901234567890123456789012345678901234567890