Chlorine !Short name 7782-50-5 !CAS number Chlorine !Full name Cl2 !Chemical formula {Cl2} Chlorine !Synonym 70.906 !Molar mass [g/mol] 172.17 !Triple point temperature [K] 239.198 !Normal boiling point [K] 416.8654 !Critical temperature [K] 7642.4 !Critical pressure [kPa] 8.06 !Critical density [mol/L] 0.070 !Acentric factor 0. !Dipole moment [Debye]; Reid, Prausnitz, & Poling, McGraw-Hill (1987) NBP !Default reference state 10.0 !Version number 1017 !UN Number :UN: other !Family :Family: 0.0 !Heating value (upper) [kJ/mol] :Heat: 1S/Cl2/c1-2 !Standard InChI String :InChi: KZBUYRJDOAKODT-UHFFFAOYSA-N !Standard InChI Key :InChiKey: ???? !Alternative fluid for mixing rules :AltID: 828f1c80 !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 ! 01-05-04 EWL, Original version. ! 07-27-15 SH, Add Herrig et al. equation of state. ! 11-15-15 MLH, Add preliminary surface tension, viscosity, thermal conductivity. ________________________________________________________________________________ #EOS !---Equation of state--- FEQ !Helmholtz equation of state for chlorine of Herrig et al. (2018). :TRUECRITICALPOINT: 416.8654 7.949829 !True EOS critical point [K, mol/L] (where dP/dD=0 and d^2P/dD^2=0 at constant T) :DOI: ? ?``````````````````````````````````````````````````````````````````````````````` ?Herrig, S., Thol, M., and Span, R., ? to be submitted to J. Phys. Chem., 2018. ? ?In the liquid phase, homogeneous densities can be obtained from the EOS with an ? uncertainty of 0.1 %, wtih slightly higher uncertainties close to the phase ? boundary. Homogeneous gas densities are represented within 0.25 %. The EOS ? represents the most accurate experimental speed-of-sound data in the gas phase ? with deviations within 0.05 %. Due to the limited experimental database, the ? estimated uncertainty of calculated sound speeds in the liquid phase is 0.6 %. ? The uncertainty of calculated vapor pressures is 0.4 % at temperatures up to ? 275 K and 1 % at higher temperatures up 320 K. The uncertainties for all ? properties increase at higher temperatures where there are no reliable ? experimental data. ? !``````````````````````````````````````````````````````````````````````````````` 172.17 !Lower temperature limit [K] 440. !Upper temperature limit [K] 20000. !Upper pressure limit [kPa] 24.61 !Maximum density [mol/L] CPP !Pointer to Cp0 model 70.906 !Molar mass [g/mol] 172.17 !Triple point temperature [K] 1.3808 !Pressure at triple point [kPa] 24.6 !Density at triple point [mol/L] 239.198 !Normal boiling point temperature [K] 0.070 !Acentric factor 416.8654 7642.4 8.06 !Tc [K], pc [kPa], rhoc [mol/L] 416.8654 8.06 !Reducing parameters [K, mol/L] 8.3144598 !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 0.0245017 1.0 4. 0. !a(i),t(i),d(i),l(i) 0.9132904 0.196 1. 0. -1.72309 1. 1. 0. -0.3359344 1.08 2. 0. 0.1200495 0.39 3. 0. -1.214889 1.64 1. 2. -0.10167 3.2 3. 2. 0.6196819 1.32 2. 1. -0.6578512 2.163 2. 2. -0.009159452 0.93 7. 1. 1.909418 0.872 1. 2. 2. -0.969 -1.22 1.142 0.88 0. 0. 0. -0.07163412 2.08 1. 2. 2. -1.89 -6.8 1.22 0.73 0. 0. 0. -0.1893345 1.6 3. 2. 2. -1.32 -3.5 1.552 0.28 0. 0. 0. -0.5698469 1.37 2. 2. 2. -1.012 -1.276 1.135 0.863 0. 0. 0. -0.8964496 1.05 2. 2. 2. -0.98 -1.6 0.754 0.554 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 chlorine of Herrig et al. (2018). ? ?``````````````````````````````````````````````````````````````````````````````` ?Herrig, S., Thol, M., and Span, R., 2018. ? !``````````````````````````````````````````````````````````````````````````````` 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 3.5 0.0 1.0256 800.0 0.067756 3000.0 0.14068 8200.0 #AUX !---Auxiliary function for PX0 PX0 !Helmholtz energy ideal-gas function for chlorine of Herrig et al. (2018). ? ?``````````````````````````````````````````````````````````````````````````````` ?Herrig, S., Thol, M., and Span, R., 2018. ? !``````````````````````````````````````````````````````````````````````````````` 1 2 3 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau)) 2.5 1.0 !ai, ti for [ai*log(tau**ti)] terms -3.9539013640553815 0.0 !aj, ti for [ai*tau**ti] terms 3.8399048397930695 1.0 !aj, ti for [ai*tau**ti] terms 1.0256 800.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms 0.067756 3000.0 0.14068 8200.0 -------------------------------------------------------------------------------- @EOS !---Equation of state--- FE1 !Helmholtz equation of state for chlorine of Bonsen (2002). ? ?``````````````````````````````````````````````````````````````````````````````` ?Bonsen (2002) ? !``````````````````````````````````````````````````````````````````````````````` 172.12 !Lower temperature limit [K] 600. !Upper temperature limit [K] 100000.0 !Upper pressure limit [kPa] 24.45 !Maximum density [mol/L] CP1 !Pointer to Cp0 model 70.906 !Molar mass [g/mol] 172.12 !Triple point temperature [K] 1.4 !Pressure at triple point [kPa] 24.4 !Density at triple point [mol/L] 239.1 !Normal boiling point temperature [K] 0.174 !Acentric factor 417.0 9700.0 8.1375342 !Tc [K], pc [kPa], rhoc [mol/L] 417.0 8.1375342 !Reducing parameters [K, mol/L] 8.314 !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 0.9178215309 0.25 1. 0. !a(i),t(i),d(i),l(i) -2.301431792 1.125 1. 0. 0.4517970045 1.5 1. 0. -0.04310372015 1.375 2. 0. 0.07777809415 0.25 3. 0. 0.0001900921704 0.875 7. 0. 0.006949800797 0.625 2. 1. -0.02150536297 1.75 5. 1. -0.2178807183 3.625 1. 2. 0.0168814077 3.625 4. 2. 0.01549021349 14.5 3. 3. 0.01722723733 12.0 4. 3. @AUX !---Auxiliary function for Cp0 CP1 !Ideal gas heat capacity function for chlorine. ? ?``````````````````````````````````````````````````````````````````````````````` ?Bonsen ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1.0 8.314 !Reducing parameters for T, Cp0 4 1 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh 2.9711935 0. 0.00498353462 1. -0.000004177662906 2. 0.000000001318031484 3. -0.812960306 2014.02967 @AUX !---Auxiliary function for Cp0 CP2 !Ideal gas heat capacity function for chlorine. ? ?``````````````````````````````````````````````````````````````````````````````` ?Martin and Longpre, JCED, 29:466-473, 1984. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1.0 4.184 !Reducing parameters for T, Cp0 4 0 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh 10.265952 0.0 -0.00078085907 1.0 -709.60655 -1.0 40821.249 -2.0 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ #TRN !---ECS Transport--- ECS !Extended Corresponding States model (Propane reference) fit to limited data for chlorine. :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 ? Chaikin, A.M. and Markevich, A.M., Zh. Fiz. Khim., 32:116-20, 1958. ? Ho, C.Y., Powell, R.W., and Liley, P.E., "Thermal Conductivity of the Elements," J. Phys. Chem. Ref. Data, 1(2):279, 1972. ? ?Estimated uncertainty in the gas phase is <10% based on comparisons with the data ? of Chaikin and Markevich. Estimated uncertainty in the liquid phase is difficult ? to assess due to lack of experimental data, estimated to be <10% along saturation ? based on agreement with recommended values of Ho et al. ? ?VISCOSITY ? Steacie, E.W.R. and Johnson, F.M.G., "The Viscosities of the Liquid Halogens," J. Am. Chem. Soc., 47:754-762, 1925. ? ?Estimated uncertainty in the gas phase is <10%, based on comparisons with the ? data of Trautz, M. and Ruf, F., Ann. Phys., 20(5):127, 1934. Estimated uncertainty ? along the liquid saturation line is <10%, based on comparisons with the data of Steacie and Johnson. ? ?The Lennard-Jones parameters were taken from Hirschfelder, J.O., Curtiss, C.F., and Bird, R.B., "Molecular Theory of Gases and Liquids," John Wiley and Sons, Inc., New York, 1245 pp, 1954. doi: 10.1002/pol.1955.120178311 ? !``````````````````````````````````````````````````````````````````````````````` 172.17 !Lower temperature limit [K] 440.0 !Upper temperature limit [K] 20000.0 !Upper pressure limit [kPa] 24.61 !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) 0.44 !Lennard-Jones coefficient sigma [nm] 257.0 !Lennard-Jones coefficient epsilon/kappa [K] 1 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2 0.0029 0. 0. 0. !Coefficient, power of T, spare1, spare2 2 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2 1.269 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare -0.08947 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 1.24341 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare -0.0812555 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 chlorine 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: 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) 0.179e-9 !Xi0 (amplitude) [m] 0.056 !Gam0 (amplitude) [-] 0.486e-9 !Qd_inverse (modified effective cutoff parameter) [m]; generic number, not fitted to data 625.30 !Tref (reference temperature)=1.5*Tc [K] ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ #STN !---Surface tension--- ST1 !Surface tension model for chlorine 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 ? ?Fit to experimental data of: ? Johnson, F.M.G. and McIntosh, D., "Liquid Chlorine," J. Am. Chem. Soc., 31(10):1138-1144, 1909. ? ?Estimated uncertainty is 5%. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1 !Number of terms in surface tension model 416.8654 !Critical temperature used in fit (dummy) 0.0783601 1.28083 !Sigma0 and n #PS !---Vapor pressure--- PS5 !Vapor pressure equation for chlorine of Herrig et al. (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. ! 416.8654 7642.4 !Reducing parameters 6 0 0 0 0 0 !Number of terms in equation -6.1289 1.0 1.5112 1.5 -1.4523 2.0 -5.6038 5.94 3.9923 7.0 -1.2651 14.8 #DL !---Saturated liquid density--- DL1 !Saturated liquid density equation for chlorine of Herrig et al. (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. ! 416.8654 8.06 !Reducing parameters 4 0 0 0 0 0 !Number of terms in equation 0.9662 0.234 1.7744 0.68 -0.23081 1.3 0.47213 3.35 #DV !---Saturated vapor density--- DV3 !Saturated vapor density equation for chlorine of Herrig et al. (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. ! 416.8654 8.06 !Reducing parameters 6 0 0 0 0 0 !Number of terms in equation -1.7673 0.3 -5.173 0.994 -12.539 2.7 -37.552 6.155 -64.404 12.4 -151.49 24.0 @END c 1 2 3 4 5 6 7 8 c2345678901234567890123456789012345678901234567890123456789012345678901234567890