R236ea !Short name 431-63-0 !CAS number 1,1,1,2,3,3-Hexafluoropropane !Full name CF3CHFCHF2 !Chemical formula {C3H2F6} HFC-236ea !Synonym 152.0384 !Molar mass [g/mol] 170.0 !Triple point temperature [K] predicted value, est unc 5% 279.322 !Normal boiling point [K] 412.44 !Critical temperature [K] 3420.0 !Critical pressure [kPa] 3.71616644 !Critical density [mol/L] 0.369 !Acentric factor 1.129 !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: 1410. !GWP (WMO 2010) :GWP: 1S/C3H2F6/c4-1(2(5)6)3(7,8)9/h1-2H !Standard InChI String :InChi: FYIRUPZTYPILDH-UHFFFAOYSA-N !Standard InChI Key :InChiKey: ???? !Alternative fluid for mixing rules :AltID: 93fd5d40 !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 ! 06-10-96 EWL, Original version. ! 05-21-02 MLH, Add transport fits. ! 04-19-04 MLH, Update transport references. ! 08-17-10 IDC, Add ancillary equations. ! 10-21-10 MLH, Add predicted triple point temperature from DIPPR jan2010 sponsor version. ! 12-06-12 EWL, Add surface tension coefficients of Mulero et al. (2012). ! 12-17-12 EWL, Add equation of state of Rui et al. ! 03-07-13 MLH, Refit ECS transport with new EOS of Rui. ! 11-19-17 MLH, Revise critical enhancement. ________________________________________________________________________________ #EOS !---Equation of state--- FEQ !Helmholtz equation of state for R-236ea of Rui et al. (2013). :TRUECRITICALPOINT: 412.409 3.747823 !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.2012.12.026 ? ?``````````````````````````````````````````````````````````````````````````````` ?Rui, X., Pan, J., and Wang, Y., ? "An Equation of State for Thermodynamic Properties of ? 1,1,1,2,3,3-Hexafluoropropane (R236ea)," ? Fluid Phase Equilib., 341:75-85, 2013. doi: 10.1016/j.fluid.2012.12.026 ? ?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 temperatures from 280 K to 370 K, ? and 0.4% at temperatures outside of this range. The uncertainty in speed of ? sound is 0.1% in the vapor region and 2% in the liquid region. ? !``````````````````````````````````````````````````````````````````````````````` 240.0 !Lower temperature limit [K] 420.0 !Upper temperature limit [K] 6000.0 !Upper pressure limit [kPa] 11.71 !Maximum density [mol/L] CPP !Pointer to Cp0 model 152.0384 !Molar mass [g/mol] 170.0 !Triple point temperature [K] predicted value, est unc 5% 0.02 !Pressure at triple point [kPa] 11.7 !Density at triple point [mol/L] 279.322 !Normal boiling point temperature [K] 0.369 !Acentric factor 412.44 3420.0 3.71616644 !Tc [K], pc [kPa], rhoc [mol/L] 412.44 3.71616644 !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 0.051074 1.0 4. 0. !a(i),t(i),d(i),l(i) 2.5584 0.264 1. 0. -2.9180 0.5638 1. 0. -0.71485 1.306 2. 0. 0.15534 0.2062 3. 0. -1.5894 2.207 1. 2. -0.784 2.283 3. 2. 0.85767 1.373 2. 1. -0.67235 2.33 2. 2. -0.017953 0.6376 7. 1. 1.3165 1.08 1. 2. 2. -1.019 -1.30 1.13 0.7119 0. 0. 0. -0.42023 1.67 1. 2. 2. -1.341 -2.479 0.6691 0.9102 0. 0. 0. -0.28053 3.502 3. 2. 2. -1.034 -1.068 0.465 0.678 0. 0. 0. -1.4134 4.357 3. 2. 2. -5.264 -79.850 1.280 0.7091 0. 0. 0. -0.0000062617 0.6945 2. 2. 2. -24.44 -49.06 0.8781 1.727 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-236ea of Rui et al. (2013). ? ?``````````````````````````````````````````````````````````````````````````````` ?Rui, X., Pan, J., and Wang, Y., 2013. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1.0 8.314472 !Reducing parameters for T, Cp0 1 4 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh 3.762 0.0 0.7762 144.0 10.41 385.0 12.18 1536.0 3.332 7121.0 #AUX !---Auxiliary function for PX0 PX0 !Helmholtz energy ideal-gas function for R-236ea of Rui et al. (2013). ? ?``````````````````````````````````````````````````````````````````````````````` ?Rui, X., Pan, J., and Wang, Y., 2013. ? !``````````````````````````````````````````````````````````````````````````````` 1 2 4 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau)) 2.762 1.0 !ai, ti for [ai*log(tau**ti)] terms -14.1214509664740717 0.0 !aj, ti for [ai*tau**ti] terms 10.2355719335625732 1.0 !aj, ti for [ai*tau**ti] terms 0.7762 144.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms 10.41 385.0 12.18 1536.0 3.332 7121.0 #AUX !---Auxiliary function for PH0 PH0 !Ideal gas Helmholtz form for R-236ea. ? ?``````````````````````````````````````````````````````````````````````````````` ?Rui, X., Pan, J., and Wang, Y., 2013. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1 2 4 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau)); cosh; sinh 2.762 1.0 !ai, ti for [ai*log(tau**ti)] terms -14.121424135 0.0 !aj, ti for [ai*tau**ti] terms 10.2355589225 1.0 0.7762 -0.3491416933 !aj, ti for [ai*log(1-exp(ti*tau)] terms 10.41 -0.9334691107 12.18 -3.7241780623 3.332 -17.2655416545 -------------------------------------------------------------------------------- @EOS !---Equation of state--- ECS !Extended Corresponding States model w/ T- and rho-dependent shape factors for R-236ea. ? ?``````````````````````````````````````````````````````````````````````````````` ?Huber, M.L. and Ely, J.F., ? "A predictive extended corresponding states model for pure and mixed ? refrigerants including an equation of state for R134a," ? Int. J. Refrigeration, 17(1):18-31, 1994. doi: 10.1016/0140-7007(94)90083-3 ? ?ECS parameters fitted by Eric W. Lemmon, NIST, 06-10-97 ?DATA SOURCES ? Defibaugh, D.R., Gillis, K.A., Moldover, M.R., Schmidt, J.W., and Weber, L.A., Thermodynamic properties of CF3-CF-CHF2, 1,1,1,2,3,3-hexafluoropropane. Fluid Phase Equilibria, 122:131-155 (1996). doi: 10.1016/0378-3812(96)03003-8 ? Average absolute deviations of the fit from the experimental data are: ? PVT: 0.07%; Psat: 0.05%; ? ?The uncertainty in density is 0.3% at temperatures up to 360 K, and 1% at ? higher temperatures. The uncertainty in vapor pressure is 1.5% from the ? triple point temperature to 270 K, and 0.5% from 270 K to the critical point ? temperature. The vapor phase uncertainty for the speed of sound and isobaric ? heat capacity is less than 0.5%. The uncertainties of heat capacities and ? speeds of sound in the liquid phase are unknown due to a lack of experimental ? data. ? !``````````````````````````````````````````````````````````````````````````````` 240.0 !Lower temperature limit [K] 500.0 !Upper temperature limit [K] 60000.0 !Upper pressure limit [kPa] 10.465 !Maximum density [mol/L] CP1 !Pointer to Cp0 model R134A.FLD BWR !Pointer to reference fluid model 0.32668 !Acentric factor for R134a used in shape factor correlation 0.259147 !Critical compressibility for R134a used in correlation 0.3794 !Acentric factor for fluid used in shape factor correlation 412.44 !Critical temperature [K] 3501.98 !Critical pressure [kPa] 3.70302 !Critical density [mol/L] 2 !Number of temperature coefficients for 'f' shape factor -0.677869920 0. !Alpha1 of Huber & Ely -0.521826510 1. !Alpha2 (log(Tr) term) 1 !Number of density coefficients for 'f' shape factor 0.0113833347 1. !Rho coefficient and power in temperature 3 !Number of temperature coefficients for 'h' shape factor 1.42369159 0. !Beta1 of Huber & Ely 0.0870214752 1. !Beta2 (log(Tr) term) 0.0195298641 1. 0 !Number of density coefficients for 'h' shape factor @AUX !---Auxiliary function for Cp0 CP1 !Ideal gas heat capacity function for R-236ea of Outcalt & McLinden (1995). ? ?``````````````````````````````````````````````````````````````````````````````` ?Defibaugh, D.R., Gillis, K.A., Moldover, M.R., Schmidt, J.W., and Weber, L.A., ? "Thermodynamic properties of CF3-CF-CHF2, 1,1,1,2,3,3-hexafluoropropane," ? Fluid Phase Equilibria, 122:131-155, 1996. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1.0 8.314471 !Reducing parameters for T, Cp0 3 0 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh 5.30694 0.0 0.03973 1.0 -0.00001859 2.0 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ #TRN !---ECS Transport--- ECS !Extended Corresponding States model (R134a reference); fitted to data for R-236ea. :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 ? 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: 1.52%; Perkins, 2002: 1.17%. ? ?VISCOSITY ? The ECS parameters for viscosity were based in part on the data of: ? 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: 0.56%. ? ?The Lennard-Jones parameters were estimated. ? !``````````````````````````````````````````````````````````````````````````````` 240.0 !Lower temperature limit [K] (based on Ttp/Tc of ref fluid) 500.0 !Upper temperature limit [K] 60000.0 !Upper pressure limit [kPa] 20.0 !Maximum density [mol/L] (limit of ECS-thermo fit) 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) 0.5604 !Lennard-Jones coefficient sigma [nm] for ECS method 318.33 !Lennard-Jones coefficient epsilon/kappa [K] for ECS method 3 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2 0.0054277 0. 0. 0. !Coefficient, power of T, spare1, spare2 -2.33425e-5 1. 0. 0. !Coefficient, power of T, spare1, spare2 3.46098e-8 2. 0. 0. !Coefficient, power of T, spare1, spare2 3 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2 1.19985 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare -0.0906827 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare 0.0128243 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 0.961712 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare 0.0337897 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-236ea 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) 0.208e-9 !Xi0 (amplitude) [m] 0.06 !Gam0 (amplitude) [-] 0.636e-9 !Qd_inverse (modified effective cutoff parameter) [m]; generic number, not fitted to data 618.66 !Tref (reference temperature)=1.5*Tc [K] ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ #STN !---Surface tension--- ST1 !Surface tension model for R-236ea 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. ! 2 !Number of terms in surface tension model 412.44 !Critical temperature used in fit (dummy) 0.306974 1.12614 !Sigma0 and n -0.247277 1.09899 #PS !---Vapor pressure--- PS5 !Vapor pressure equation for R-236ea of Lemmon (2012). ? ?``````````````````````````````````````````````````````````````````````````````` ?Lemmon, E.W., 2012. ? ?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. ! 412.44 3420.0 !Reducing parameters 4 0 0 0 0 0 !Number of terms in equation -7.9095 1.0 2.3374 1.5 -2.6453 2.15 -5.7058 4.75 #DL !---Saturated liquid density--- DL1 !Saturated liquid density equation for R-236ea of Lemmon (2012). ? ?``````````````````````````````````````````````````````````````````````````````` ?Lemmon, E.W., 2012. ? ?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. ! 412.44 3.7162 !Reducing parameters 4 0 0 0 0 0 !Number of terms in equation 1.6074 0.31 1.5021 0.75 -1.1060 1.3 0.91146 1.9 #DV !---Saturated vapor density--- DV3 !Saturated vapor density equation for R-236ea of Lemmon (2012). ? ?``````````````````````````````````````````````````````````````````````````````` ?Lemmon, E.W., 2012. ? ?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. ! 412.44 3.7162 !Reducing parameters 5 0 0 0 0 0 !Number of terms in equation -2.7426 0.376 -6.2268 1.1 -15.109 2.7 -49.524 5.5 -114.11 11.0 @END c 1 2 3 4 5 6 7 8 c2345678901234567890123456789012345678901234567890123456789012345678901234567890