R1233zd(E) !Short name 102687-65-0 !CAS number trans-1-Chloro-3,3,3-trifluoro-1-propene !Full name CF3CH=CHCl !Chemical formula {C3H2ClF3} HFO-1233zd(E) !Synonym 130.4962 !Molar mass [g/mol] 195.15 !Triple point temperature [K] 291.413 !Normal boiling point [K] 439.6 !Critical temperature [K] 3623.7 !Critical pressure [kPa] 3.68 !Critical density [mol/L] 0.3025 !Acentric factor 1.12 !Dipole moment [Debye]; calculated by R. Gaabe, TU Braunschweig, 2017. IIR !Default reference state 10.0 !Version number 3163 !UN Number :UN: halocb !Family :Family: ???? !Heating value (upper) [kJ/mol] :Heat: 1. !GWP :GWP: 16000. !RCL (ppm v/v, ASHRAE Standard 34, 2010) :RCL: A1 !Safety Group (ASHRAE Standard 34, 2010) :Safety: 1S/C3H2ClF3/c4-2-1-3(5,6)7/h1-2H/b2-1+ !Standard InChI String :InChi: LDTMPQQAWUMPKS-OWOJBTEDSA-N !Standard InChI Key :InChiKey: 40377b40 (R1234yf) !Alternative fluid for mixing rules :AltID: bf17dfe0 !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 ! 08-01-12 EWL, Original version. ! 10-15-12 EWL, Revision based on measured data to date (p-rho-T, p_sat). ! 11-16-12 MLH, Add transport predictions. ! 11-22-13 MLH, Revise surface tension model. ! 02-10-15 EWL, Update equation of state based on corrected pvt and psat data. ! 03-09-15 EWL, Add new surface tension equation of Kondou et al. (2015). ! 11-06-15 EWL, Refit ancillary equations. ! 12-01-16 MLH, Add new thermal conductivity correlation, updated ECS viscosity coeff with 2015 EOS. ! 01-26-17 MLH, Update ECS for viscosity, implement Perkins et al (2017) thermal conductivity model, update dipole moment. ! 09-14-17 MLH, Add Wen viscosity correlation ! 01-08-17 MLH, Revise ECS viscosity model including Miyara preliminary data and set as default. ________________________________________________________________________________ #EOS !---Equation of state--- FEQ !Helmholtz equation of state for R-1233zd(E) of Mondejar et al. (2015). :TRUECRITICALPOINT: 439.6 3.68 !True EOS critical point [K, mol/L] (where dP/dD=0 and d^2P/dD^2=0 at constant T) :DOI: 10.1021/acs.jced.5b00348 ? ?``````````````````````````````````````````````````````````````````````````````` ?Mondejar, M.E., McLinden, M.O., and Lemmon, E.W., ? "Thermodynamic Properties of trans-1-chloro-3,3,3-Trifluoropropene ? (R1233zd(E)): Vapor Pressure, P-rho-T Data, Speed of Sound Measurements ? and Equation of State," ? J. Chem. Eng. Data, 60:2477-2489, 2015. ? doi: 10.1021/acs.jced.5b00348 ? !``````````````````````````````````````````````````````````````````````````````` 195.15 !Lower temperature limit [K] 550. !Upper temperature limit [K] 100000. !Upper pressure limit [kPa] 11.41 !Maximum density [mol/L] CPP !Pointer to Cp0 model 130.4962 !Molar mass [g/mol] 195.15 !Triple point temperature [K] 0.2733 !Pressure at triple point [kPa] 11.404 !Density at triple point [mol/L] 291.413 !Normal boiling point temperature [K] 0.3025 !Acentric factor 439.6 3623.7 3.68 !Tc [K], pc [kPa], rhoc [mol/L] 439.6 3.68 !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 0.0478487 1.0 4. 0. !a(i),t(i),d(i),l(i) 1.60644 0.26 1. 0. -2.27161 1.02 1. 0. -0.530687 0.7 2. 0. 0.169641 0.4 3. 0. -1.85458 1.46 1. 2. -0.321916 2.3 3. 2. 0.636411 0.66 2. 1. -0.121482 2.7 2. 2. -0.0262755 1.19 7. 1. 2.37362 1.62 1. 2. 2. -0.748 -1.29 0.89 0.508 0. 0. 0. -0.901771 1.13 1. 2. 2. -1.473 -1.61 1.13 0.366 0. 0. 0. -0.455962 1.7 3. 2. 2. -1.39 -0.8 0.7 0.38 0. 0. 0. -0.602941 1.35 2. 2. 2. -0.86 -1.34 0.91 0.773 0. 0. 0. -0.0594311 1.5 2. 2. 2. -1.8 -0.49 1.2 1.17 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-1233zd(E) of Mondejar et al. (2015). ? ?``````````````````````````````````````````````````````````````````````````````` ?Mondejar, M.E., McLinden, M.O., and Lemmon, E.W., 2015. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1.0 8.3144598 !Reducing parameters for T, Cp0 1 2 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh 4.0 0.0 11.795 630.0 8.6848 2230.0 #AUX !---Auxiliary function for PX0 PX0 !Helmholtz energy ideal-gas function for R-1233zd(E) of Mondejar et al. (2015). ? ?``````````````````````````````````````````````````````````````````````````````` ?Mondejar, M.E., McLinden, M.O., and Lemmon, E.W., 2015. ? !``````````````````````````````````````````````````````````````````````````````` 1 2 2 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 -16.4562356954883171 0.0 !aj, ti for [ai*tau**ti] terms 10.095964662989191 1.0 !aj, ti for [ai*tau**ti] terms 11.795 630.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms 8.6848 2230.0 -------------------------------------------------------------------------------- @EOS !---Equation of state--- FE1 !Helmholtz equation of state for R-1233zd(E) of Mondejar et al. (2012). ? ?``````````````````````````````````````````````````````````````````````````````` ?Mondejar, M.E., McLinden, M.O., Lemmon, E.W. ? preliminary equation of state, 2012. ? !``````````````````````````````````````````````````````````````````````````````` 195.15 !Lower temperature limit [K] 550. !Upper temperature limit [K] 100000. !Upper pressure limit [kPa] 11.41 !Maximum density [mol/L] CP1 !Pointer to Cp0 model 130.4961896 !Molar mass [g/mol] 195.15 !Triple point temperature [K] 0.25 !Pressure at triple point [kPa] 11.41 !Density at triple point [mol/L] 291.47 !Normal boiling point temperature [K] 0.305 !Acentric factor 439.6 3624.0 3.68 !Tc [K], pc [kPa], rhoc [mol/L] 439.6 3.68 !Reducing parameters [K, mol/L] 8.3144621 !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 0.0478487 1.0 4. 0. !a(i),t(i),d(i),l(i) 1.60644 0.26 1. 0. -2.27161 1.02 1. 0. -0.530687 0.7 2. 0. 0.169641 0.4 3. 0. -1.85458 1.46 1. 2. -0.321916 2.3 3. 2. 0.636411 0.66 2. 1. -0.121482 2.7 2. 2. -0.0262755 1.19 7. 1. 2.37362 1.62 1. 2. 2. -0.748 -1.29 0.89 0.508 0. 0. 0. -0.901771 1.13 1. 2. 2. -1.473 -1.61 1.13 0.366 0. 0. 0. -0.455962 1.7 3. 2. 2. -1.39 -0.8 0.7 0.38 0. 0. 0. -0.602941 1.35 2. 2. 2. -0.86 -1.34 0.91 0.773 0. 0. 0. -0.0594311 1.5 2. 2. 2. -1.8 -0.49 1.2 1.17 0. 0. 0. @AUX !---Auxiliary function for Cp0 CP1 !Ideal gas heat capacity function for R-1233zd(E) of Mondejar et al. (2012). ? ?``````````````````````````````````````````````````````````````````````````````` ?Mondejar, M.E., McLinden, M.O., Lemmon, E.W. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1.0 8.3144621 !Reducing parameters for T, Cp0 1 2 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh 4.0 0.0 11.795 630.0 8.6848 2230.0 ================================================================================ #TCX !---Thermal conductivity--- TC1 !Pure fluid thermal conductivity model for R-1233zd(E) of Perkins et al. (2017). :DOI: 10.1021/acs.jced.7b00106 ? ?``````````````````````````````````````````````````````````````````````````````` ?Perkins, R.A., Huber, M.L., and Assael, M.J., ? "Measurement and Correlation of the Thermal Conductivity ? of trans-1-Chloro-3,3,3-Trifluoropropene (R1233zd(E))," ? J. Chem. Eng. Data, 62(9):2659-2665, 2017. doi: 10.1021/acs.jced.7b00106 ? !``````````````````````````````````````````````````````````````````````````````` 195. !Lower temperature limit [K] 550. !Upper temperature limit [K] 100000. !Upper pressure limit [kPa] 11.5 !Maximum density [mol/L] 3 0 !# terms for dilute gas function: numerator, denominator 439.6 1. !Reducing parameters for T, tcx -0.0140033 0. 0.037816 1. -0.00245832 2. 12 0 !# terms for background gas function: numerator, denominator 439.6 3.68 1. !Reducing parameters for T (= Tc), rho (= Dc), tcx 0.00862816 0. 1. 0. -0.0208988 0. 2. 0. 0.0511968 0. 3. 0. -0.0349076 0. 4. 0. 0.00975727 0. 5. 0. -0.000926484 0. 6. 0. 0.000914709 1. 1. 0. -0.00407914 1. 2. 0. 0.00845668 1. 3. 0. -0.0108985 1. 4. 0. 0.00538262 1. 5. 0. -0.000806009 1. 6. 0. TK3 !Pointer to critical enhancement auxiliary function #AUX !---Auxiliary function for the thermal conductivity critical enhancement TK3 !Simplified thermal conductivity critical enhancement for R-1233zd(E) 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) 0.213e-9 !Xi0 (amplitude) [m] 0.059 !Gam0 (amplitude) [-] 5.98e-10 !Qd_inverse (modified effective cutoff parameter) [m] 659.4 !Tref (reference temperature)=1.5*Tc [K] ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ @TRN !---ECS Transport--- ECS !Extended Corresponding States model (R134a reference). :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 ? ?VISCOSITY ? Personal communication from X. Meng, unpublished data, Xi'an Xiaotong University, China, 2017. ? Personal communication from A. Miyara, unpublished data, Saga University, Japan, 2018. ?Estimated uncertainty is 4% for the liquid over 243 to 433 K at pressures to 40 MPa, rising to 10% at 100 MPa. ?Estimated uncertainty for the gas phase is 4%. ? ?THERMAL CONDUCTIVITY ? preliminary vapor phase data of R.A. Perkins, NIST, Boulder, 2012. ? ?Estimated uncertainty 20%. ? ?The Lennard-Jones parameters were estimated with the method of Chung. ? !``````````````````````````````````````````````````````````````````````````````` 195.0 !Lower temperature limit [K] 550.0 !Upper temperature limit [K] 100000.0 !Upper pressure limit [kPa] 11.5 !Maximum density [mol/L] FEQ R134A.FLD VS1 !Model for reference fluid viscosity TC1 !Model for reference fluid thermal conductivity BIG !Large molecule identifier 0.93 0. 0. 0. !Large molecule parameters 1 !Lennard-Jones flag (0 or 1) (0 => use estimates) 0.524 !Lennard-Jones coefficient sigma [nm] for ECS method 349.1 !Lennard-Jones coefficient epsilon/kappa [K] 1 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2 0.00132 0. 0. 0. !Coefficient, power of T, spare1, spare2 4 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2 -0.0848988 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare 1.22693 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare -0.463275 0. 2. 0. !Coefficient, power of Tr, power of Dr, spare 0.0568798 0. 3. 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 ******************************************************************************** @ETA !---Viscosity--- VS1 !Pure fluid viscosity model for R-1233zd(E) of Wen et al. (2017). ? ?``````````````````````````````````````````````````````````````````````````````` ?Wen, C., Meng, X., Wu, J. "Measurement and Correlation of the Viscosity of R1233zde from 243 K to 373 K and up to 40 MPa ? submitted to J. Chem. Eng. Data, 2017. ? Esimated uncertainty in the liquid phase from 240- 400 K at pressures to 40 MPa is 2%. ? No data for gas phase; estimated uncertainty 10 % ? !``````````````````````````````````````````````````````````````````````````````` 195.15 !Lower temperature limit [K] 550.0 !Upper temperature limit [K] 100000.0 !Upper pressure limit [kPa] 11.41 !Maximum density [mol/L] 1 !Number of terms associated with dilute-gas function CI0 !Pointer to reduced effective collision cross-section model 0.5240 !Lennard-Jones coefficient sigma [nm] 349.08 !Lennard-Jones coefficient epsilon/kappa [K] 1.0 1.0 !Reducing parameters for T, eta 0.281086 0.5 !=0.02669*SQRT(MW)*fc [Chapman-Enskog term] for Chung method with 1.44 D dip 9 !Number of terms for initial density dependence 349.08 0.086645 !Reducing parameters for T (=eps/k), etaB2 (= 0.6022137*sigma**3) -19.572881 0.0 !Coefficient, power in T* = T/(eps/k) 219.73999 -0.25 -1015.3226 -0.5 2471.0125 -0.75 -3375.1717 -1.0 2491.6597 -1.25 -787.26086 -1.5 14.085455 -2.5 -0.34664158 -5.5 0 1 2 5 0 0 !# resid terms: close-packed density; simple poly; numerator of rational poly; denominator of rat. poly; numerator of exponential; denominator of exponential 439.6 3.68 1.0 !Reducing parameters for T, rho, eta (correlation in terms of uPa-s) 17.5983 0.5 0.6666666667 0. 0 !Coefficient, power of tau, del n1 -4.02103 0.5 0.6666666667 0. 0 !Coefficient, power of tau, del n2 -105.820 0.5 1.6666666667 0. 0 !Coefficient, power of tau, del n3 -10.6936 0.0 0. 0. 0 !Coefficient, power of tau, del n4 6.57574 0.0 1. 0. 0 !Coefficient, power of tau, del n5 -5.26734 1.0 0. 0. 0 !Coefficient, power of tau, del n6 1.10633 1.0 1. 0. 0 !Coefficient, power of tau, del n7 -0.959157 0.0 2. 0. 0 !Coefficient, power of tau, del n8 NUL !Pointer to the viscosity critical enhancement auxiliary function (none used) ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ #STN !---Surface tension--- ST1 !Surface tension model for R-1233zd(E) of Kondou et al. (2015). :DOI: 10.1016/j.ijrefrig.2015.01.005 ? ?``````````````````````````````````````````````````````````````````````````````` ?Kondou, C., Nagata, R., Nii, N., Koyama, S., and Higashi, Y., ? "Surface Tension of Low GWP Refrigerants R1243zf, R1234ze(Z), and R1233zd(E)," ? Int. J. Refrig., 53:80-89, 2015. ? doi: 10.1016/j.ijrefrig.2015.01.005 ? ?Critical temperature was changed to match that from the EOS. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1 !Number of terms in surface tension model 439.6 !Critical temperature used in fit (dummy) 0.06195 1.277 !Sigma0 and n #PS !---Vapor pressure--- PS5 !Vapor pressure equation for R-1233zd(E) of Mondejar et al. (2013). ? ?``````````````````````````````````````````````````````````````````````````````` ?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. ! 439.6 3623.7 !Reducing parameters 5 0 0 0 0 0 !Number of terms in equation -7.5635 1.0 1.8668 1.5 -2.1880 2.4 -3.4571 4.5 -2.4340 14.0 #DL !---Saturated liquid density--- DL1 !Saturated liquid density equation for R-1233zd(E) of Mondejar et al. (2013). ? ?``````````````````````````````````````````````````````````````````````````````` ?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. ! 439.6 3.68 !Reducing parameters 5 0 0 0 0 0 !Number of terms in equation 7.0378 0.53 -14.550 0.85 21.707 1.2 -18.338 1.6 7.1635 2.0 #DV !---Saturated vapor density--- DV3 !Saturated vapor density equation for R-1233zd(E) of Mondejar et al. (2013). ? ?``````````````````````````````````````````````````````````````````````````````` ?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. ! 439.6 3.68 !Reducing parameters 6 0 0 0 0 0 !Number of terms in equation -6.1834 0.52 6.8270 0.85 -11.226 1.2 -22.406 3.4 -58.384 7.0 -146.92 15.0 @END c 1 2 3 4 5 6 7 8 c2345678901234567890123456789012345678901234567890123456789012345678901234567890