Vinyl chloride !Short name 75-01-4 !CAS number Chloroethylene !Full name C2H3Cl !Chemical formula {C2H3Cl} R-1140 !Synonym 62.49822 !Molar mass [g/mol] 119.31 !Triple point temperature [K] 259.443 !Normal boiling point [K] 424.964 !Critical temperature [K] 5590.3 !Critical pressure [kPa] 5.62 !Critical density [mol/L] 0.161 !Acentric factor 1.45103 !Dipole moment [Debye]; Nelson, R.D., Lide, D.R., Maryott, A., NSRDS 10, NBS, Washington, D.C. (1967) NBP !Default reference state 10.0 !Version number 1086 !UN Number :UN: halocb !Family :Family: ???? !Heating value (upper) [kJ/mol] :Heat: 1S/C2H3Cl/c1-2-3/h2H,1H2 !Standard InChI String :InChi: BZHJMEDXRYGGRV-UHFFFAOYSA-N !Standard InChI Key :InChiKey: 7b3b4080 (butane) !Alternative fluid for mixing rules :AltID: 0b34bc40 !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. Thol, Thermodynamics, Ruhr-Universitaet Bochum, Germany ! 14-05-14 MT, Original version. ! 14-05-14 MT, Add PH0 parameters for NBP. ! 14-05-14 MT, Add ancillary equations. ! 07-09-15 MLH, Add preliminary predictive transport models. ! 12-28-16 MLH, Add preliminary surface tension model. ! 02-24-17 MLH, Revise transport. ________________________________________________________________________________ #EOS !---Equation of state--- FEQ !Helmholtz equation of state for vinyl chloride of Thol and Span (2014). :TRUECRITICALPOINT: 424.964 5.62 !True EOS critical point [K, mol/L] (where dP/dD=0 and d^2P/dD^2=0 at constant T) :DOI: ? ?``````````````````````````````````````````````````````````````````````````````` ?Thol, M. and Span, R., ? unpublished equation, 2014. ? !``````````````````````````````````````````````````````````````````````````````` 190.0 !Lower temperature limit [K] 450.0 !Upper temperature limit [K] 10000. !Upper pressure limit [kPa] 19.24 !Maximum density [mol/L] CPP !Pointer to Cp0 model 62.49822 !Molar mass [g/mol] 119.31 !Triple point temperature [K] 0.0000649 !Pressure at triple point [kPa] 19.23 !Density at triple point [mol/L] 259.443 !Normal boiling point temperature [K] 0.161 !Acentric factor 424.964 5590.3 5.62 !Tc [K], pc [kPa], rhoc [mol/L] 424.964 5.62 !Reducing parameters [K, mol/L] 8.3144598 !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 0.027915646 1.0 4. 0. !a(i),t(i),d(i),l(i) 1.56343 0.2 1. 0. -1.98447 0.76 1. 0. -0.618706 1.076 2. 0. 0.160016 0.49 3. 0. -0.987704 1.52 1. 2. -0.363759 2.93 3. 2. 0.820064 1.16 2. 1. -0.380335 2.56 2. 2. -0.00952795 1.0 7. 1. 0.583237 0.82 1. 2. 2. -1.02 -1.34 1.12 0.717 0. 0. 0. -0.201067 0.86 1. 2. 2. -1.42 -1.62 0.65 0.921 0. 0. 0. -0.153546 2.3 3. 2. 2. -1.0 -1.0 0.5 0.69 0. 0. 0. -0.519717 4.8 3. 2. 2. -7.92 -91.6 1.26 0.763 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 vinyl chloride of Thol and Span (2014). ? ?``````````````````````````````````````````````````````````````````````````````` ?Thol, M. and Span, R., 2014. ? !``````````````````````````````````````````````````````````````````````````````` 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 4.0 0.0 3.354 804.0 3.182 4413.0 5.49 1732.0 #AUX !---Auxiliary function for PX0 PX0 !Helmholtz energy ideal-gas function for vinyl chloride of Thol and Span (2014). ? ?``````````````````````````````````````````````````````````````````````````````` ?Thol, M. and Span, R., 2014. ? !``````````````````````````````````````````````````````````````````````````````` 1 2 3 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau)) 3.0 1.0 !ai, ti for [ai*log(tau**ti)] terms -3.3865186621427483 0.0 !aj, ti for [ai*tau**ti] terms 3.5879604773698586 1.0 !aj, ti for [ai*tau**ti] terms 3.354 804.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms 3.182 4413.0 5.49 1732.0 #AUX !---Auxiliary function for PH0 PH0 !Ideal gas Helmholtz form for vinyl chloride of Thol and Span (2014). ? ?``````````````````````````````````````````````````````````````````````````````` ?Thol, M. and Span, R., 2014. ? !``````````````````````````````````````````````````````````````````````````````` 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 3.0 1.0 !ai, ti for [ai*log(tau**ti)] terms -3.3865189396 0.0 !aj, ti for [ai*tau**ti] terms 3.5879606473 1.0 3.354 -1.8919249631 !aj, ti for [ai*log(1-exp(ti*tau)] terms 3.182 -10.3844090323 5.49 -4.0756393483 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ #TRN !---ECS Transport--- ECS !Extended Corresponding States model (R134a reference) extremely limited data for vinyl chloride. :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 ? Estimated uncertainty is 10% for viscosity in the gas and liquid phases. ? Data sources: Miller, S.A., "Acetylene, its Properties, Manufacture and Uses," Volume II, 1966, New York and London: Academic Press. ? ?THERMAL CONDUCTIVITY ? Estimated uncertainty is 10% for thermal conductivity in the gas and liquid phases. ? Data sources: Senftleben, H., "New Measured Values of Thermal Conductivity and Specific Heat at Different Temperatures for a Series of Gases," Z. Angew. Phys., 17(2):86, 1964. ? ?The Lennard-Jones parameters were estimated with the method of Chung. ? !``````````````````````````````````````````````````````````````````````````````` 190.0 !Lower temperature limit [K] 450.0 !Upper temperature limit [K] 10000.0 !Upper pressure limit [kPa] 19.24 !Maximum density [mol/L] FEQ R134A.FLD VS1 !Model for reference fluid viscosity TC1 !Model for reference fluid thermal conductivity BIG !Large molecule identifier 1.06 0. 0. 0. !Large molecule parameters 1 !Lennard-Jones flag (0 or 1) (0 => use estimates) 0.455 !Lennard-Jones coefficient sigma [nm] 337.46 !Lennard-Jones coefficient epsilon/kappa [K] for ECS method 2 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2 4.68338e-4 0. 0. 0. !Coefficient, power of T, spare1, spare2 1.55637e-6 1. 0. 0. !Coefficient, power of T, spare1, spare2 2 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2 0.991393 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare -0.0190085 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare 1 0 0 !Number of terms in chi (t.c. shape factor): poly,spare1,spare2 1.0 0. 0. 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 vinyl chloride 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) 0.195e-9 !Xi0 (amplitude) [m] 0.059 !Gam0 (amplitude) [-] 0.551e-9 !Qd_inverse (modified effective cutoff parameter) [m] 637.45 !Tref (reference temperature) [K] ******************************************************************************** @TCX !---Thermal conductivity--- TC5 !Pure fluid thermal conductivity model for vinyl chloride 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. ? !``````````````````````````````````````````````````````````````````````````````` 190.0 !Lower temperature limit [K] 450.0 !Upper temperature limit [K] 10000. !Upper pressure limit [kPa] 19.24 !Maximum density [mol/L] 0.455 !Lennard-Jones coefficient sigma [nm]=0.809vc*(1/3)A 337.46 !Lennard-Jones coefficient epsilon/kappa [K] =Tc/1.2593 0.161 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 vinyl chloride 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 5%. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1 !Number of terms in surface tension model 424.964 !Critical temperature used in fit (dummy) 0.0655789 1.16473 !Sigma0 and n #PS !---Vapor pressure--- PS5 !Vapor pressure equation for vinyl chloride of Thol and Span (2014). ? ?``````````````````````````````````````````````````````````````````````````````` ?Thol and Span, 2014. ? ?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. ! 424.964 5590.3 !Reducing parameters 5 0 0 0 0 0 !Number of terms in equation -6.9978 1.0 2.3668 1.5 -1.92 2.12 -2.525 4.45 -78.9 31.0 #DL !---Saturated liquid density--- DL1 !Saturated liquid density equation for vinyl chloride of Thol and Span (2014). ? ?``````````````````````````````````````````````````````````````````````````````` ?Thol and Span, 2014. ? ?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. ! 424.964 5.62 !Reducing parameters 4 0 0 0 0 0 !Number of terms in equation 1.5668 0.3 1.655 0.83 -1.03 1.5 0.87 2.6 #DV !---Saturated vapor density--- DV3 !Saturated vapor density equation for vinyl chloride of Thol and Span (2014). ? ?``````````````````````````````````````````````````````````````````````````````` ?Thol and Span, 2014. ? ?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. ! 424.964 5.62 !Reducing parameters 6 0 0 0 0 0 !Number of terms in equation -1.7237 0.3 -4.431 0.853 -12.02 2.39 -35.585 5.43 -57.6 10.6 -144.0 20.0 @END c 1 2 3 4 5 6 7 8 c2345678901234567890123456789012345678901234567890123456789012345678901234567890