Perfluorohexane !Short name 355-42-0 !CAS number Tetradecafluorohexane !Full name C6F14 !Chemical formula {C6F14} Perfluorohexane !Synonym 338.042 !Molar mass [g/mol] 187.07 !Triple point temperature [K] 330.274 !Normal boiling point [K] 448.0 !Critical temperature [K] 1741.6 !Critical pressure [kPa] 1.825 !Critical density [mol/L] 0.497 !Acentric factor 0.0 !Dipole moment [Debye]; ab-initio calculations from HF 6-31G* NBP !Default reference state 10.0 !Version number ???? !UN Number :UN: halocb !Family :Family: ???? !Heating value (upper) [kJ/mol] :Heat: 1S/C6F14/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20 :InChi: !Standard InChI String ZJIJAJXFLBMLCK-UHFFFAOYSA-N !Standard InChI Key :InChiKey: 7b3b4080 (butane) !Alternative fluid for mixing rules :AltID: 31895f40 !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 ! 08-09-06 EWL, Original version. ! 03-13-17 KG, Add new equation of state of Gao et al. (2017). ! 03-14-17 MLH, Add transport and surface tension. ________________________________________________________________________________ #EOS !---Equation of state--- FEQ !Helmholtz equation of state for perfluorohexane of Gao et al. (2017). :TRUECRITICALPOINT: 448.0 1.825 !True EOS critical point [K, mol/L] (where dP/dD=0 and d^2P/dD^2=0 at constant T) :DOI: ? ?``````````````````````````````````````````````````````````````````````````````` ?Gao, K., Wu, J., and Lemmon, E.W., ? unpublished equation, 2017. ? ?The uncertainty of the equation of state in density is 0.15 % at temperatures between ? 280 K and 315 K. The uncertainty in vapor pressure is 0.2 % between 280 K and 345 K. ? The uncertainty in saturated-liquid density is 0.6 % between 265 K and 325 K. The ? uncertainty in sound speed is 1 % at temperatures between 275 K and 300 K. ? !``````````````````````````````````````````````````````````````````````````````` 187.07 !Lower temperature limit [K] 450.0 !Upper temperature limit [K] 40000.0 !Upper pressure limit [kPa] 5.89 !Maximum density [mol/L] CPP !Pointer to Cp0 model 338.042 !Molar mass [g/mol] 187.07 !Triple point temperature [K] 0.004133 !Pressure at triple point [kPa] 5.881 !Density at triple point [mol/L] 330.274 !Normal boiling point temperature [K] 0.497 !Acentric factor 448.0 1741.6 1.825 !Tc [K], pc [kPa], rhoc [mol/L] 448.0 1.825 !Reducing parameters [K, mol/L] 8.3144598 !Gas constant [J/mol-K] 9 4 5 12 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms 0.035689273 1.0 4. 0. !a(i),t(i),d(i),l(i) 0.89834616 0.146 1. 0. -0.11619207 1.0 1. 0. -1.6558707 1.0 2. 0. 0.3090401 0.39 3. 0. -3.0212885 1.56 1. 2. -1.309987 2.25 3. 2. 1.4611604 0.987 2. 1. -0.63849402 2.602 2. 2. -0.40480926 1.87 1. 2. 2. -0.8775 -1.171 1.254 0.36 0. 0. 0. 2.3673483 0.97 1. 2. 2. -1.0 -1.14 1.312 0.755 0. 0. 0. 0.40072213 2.22 1. 2. 2. -1.327 -0.645 1.178 1.693 0. 0. 0. -0.43534683 1.7 3. 2. 2. -1.102 -0.658 1.326 1.04 0. 0. 0. -0.90267664 1.31 2. 2. 2. -1.274 -0.727 0.902 0.646 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 perfluorohexane of Gao et al. (2017). ? ?``````````````````````````````````````````````````````````````````````````````` ?Gao, K., Wu, J., and Lemmon, E.W., 2017. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1.0 8.3144598 !Reducing parameters for T, Cp0 1 3 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh 17.0 0.0 4.902 433.0 23.43 910.0 10.52 1982.0 #AUX !---Auxiliary function for PX0 PX0 !Helmholtz energy ideal-gas function for perfluorohexane of Gao et al. (2017). ? ?``````````````````````````````````````````````````````````````````````````````` ?Gao, K., Wu, J., and Lemmon, E.W., 2017. ? !``````````````````````````````````````````````````````````````````````````````` 1 2 3 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau)) 16.0 1.0 !ai, ti for [ai*log(tau**ti)] terms 14.4861288111831072 0.0 !aj, ti for [ai*tau**ti] terms -9.8030227117815425 1.0 !aj, ti for [ai*tau**ti] terms 4.902 433.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms 23.43 910.0 10.52 1982.0 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ #TRN !---ECS Transport--- ECS !Extended Corresponding States model (R134a reference); predictive mode for perfluorohexane. :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 ? ?VISCOSITY ? Cochran, M.A., North, A.M., Pethrick, R.A., "Ultrasonic Studies of Perfluoro-n-Alkanes," J. Chem. Soc. Faraday Trans. II, 70:1274-1279, 1974. doi: 10.1039/F29747001274 ? ?For temperatures above 230 K and atmospheric pressure, uncertainty is estimated to be 5%, ? rising to 10% at pressures to 40 MPa. Uncertainty in the gas phase is 5%. ? ?THERMAL CONDUCTIVITY ? Extremely limited experimental data. Uncertainty of the thermal conductivity ? of the liquid and vapor phases is estimated to be 10%. ? ?The Lennard-Jones parameters were taken from McCoubrey, J.C. and Singh, N.M., "The Viscosity of Some Fluorocarbons in the Vapour Phase," Trans. Faraday Soc., 56, 486-489, 1960. doi: 10.1039/TF9605600486 ? !``````````````````````````````````````````````````````````````````````````````` 187.07 !Lower temperature limit [K] 450.0 !Upper temperature limit [K] 40000.0 !Upper pressure limit [kPa] 5.89 !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) 0.805 !Lennard-Jones coefficient sigma [nm] 160.0 !Lennard-Jones coefficient epsilon/kappa [K] 1 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2 0.00125 0. 0. 0. !Coefficient, power of T, spare1, spare2 3 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2 0.673625 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare 0.35383 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare -0.0787347 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 1.99965 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare -0.290494 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 perfluorohexane 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) 0.254e-9 !Xi0 (amplitude) [m] 0.060 !Gam0 (amplitude) [-] 0.812e-9 !Qd_inverse (modified effective cutoff parameter) [m] 672.0 !Tref (reference temperature)=1.5*Tc [K] ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ #STN !---Surface tension--- ST1 !Preliminary surface tension model for perfluorohexane of Huber (2018). :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 ? ?Estimated uncertainty is 6%. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 2 !Number of terms in surface tension model 448.0 !Critical temperature used in fit (dummy) 0.0230631 0.98534 !Sigma0 and n 0.0703415 2.6579 #PS !---Vapor pressure--- PS5 !Vapor pressure equation for perfluorohexane 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. ! 448.0 1741.6 !Reducing parameters 5 0 0 0 0 0 !Number of terms in equation -9.0231 1.0 5.1365 1.5 -4.8413 1.9 -5.2906 3.75 -2.937 11.7 #DL !---Saturated liquid density--- DL1 !Saturated liquid density equation for perfluorohexane 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. ! 448.0 1.825 !Reducing parameters 5 0 0 0 0 0 !Number of terms in equation 4.5417 0.463 -5.3549 0.85 5.7116 1.25 -2.6333 1.75 1.1928 3.45 #DV !---Saturated vapor density--- DV3 !Saturated vapor density equation for perfluorohexane 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. ! 448.0 1.825 !Reducing parameters 5 0 0 0 0 0 !Number of terms in equation -4.9298 0.476 -13.949 1.88 -53.702 4.73 -113.62 10.4 -262.16 21.05 @END c 1 2 3 4 5 6 7 8 c2345678901234567890123456789012345678901234567890123456789012345678901234567890