trans-Butene !Short name 624-64-6 !CAS number trans-2-Butene !Full name CH3-CH=CH-CH3 !Chemical formula {C4H8} (E)-2-Butene !Synonym 56.10632 !Molar mass [g/mol] 167.6 !Triple point temperature [K] 274.03 !Normal boiling point [K] 428.61 !Critical temperature [K] 4027.3 !Critical pressure [kPa] 4.213 !Critical density [mol/L] 0.21 !Acentric factor 0.0 !Dipole moment [Debye]; (exactly zero due to symmetry) Watson, H.E. and K.L. Ramaswamy, Proc. Roy. Soc. (London), A156, 130-137 (1936). NBP !Default reference state 10.0 !Version number 1012 !UN Number :UN: n-alkene !Family :Family: 2706.4 !Heating value (upper) [kJ/mol] :Heat: 1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+ !Standard InChI String :InChi: IAQRGUVFOMOMEM-ONEGZZNKSA-N !Standard InChI Key :InChiKey: 7b3b4080 (butane) !Alternative fluid for mixing rules :AltID: b28337f0 !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 ! 12-17-03 EWL, Original version. ! 10-14-04 MLH, Add family. ! 11-13-06 MLH, Add LJ parameters. ! 08-17-10 IDC, Add ancillary equations. ! 04-17-14 EWL, Add surface tension coefficients of Mulero et al. (2014). ! 05-04-16 MLH, Add viscosity and thermal conductivity estimates. ________________________________________________________________________________ #EOS !---Equation of state--- FEQ !Helmholtz equation of state for trans-butene of Lemmon and Ihmels (2005). :TRUECRITICALPOINT: 428.61 4.213 !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.2004.09.004 ? ?``````````````````````````````````````````````````````````````````````````````` ?Lemmon, E.W. and Ihmels, E.C., ? "Thermodynamic Properties of the Butenes. Part II. Short Fundamental ? Equations of State," ? Fluid Phase Equilib., 228-229C:173-187, 2005. ? ?The uncertainties in densities calculated with the equation of state ? are 0.1% in the liquid phase at temperatures above 270 K (rising to ? 0.5% at temperatures below 200 K), 0.2% at temperatures above the ? critical temperature and at pressures above 10 MPa, and 0.5% in the ? vapor phase, including supercritical conditions below 10 MPa. The ? uncertainty in the vapor phase may be higher than 0.5% in some regions. ? The uncertainty in vapor pressure is 0.3% above 200 K, and the ? uncertainty in heat capacities is 0.5% at saturated liquid conditions, ? rising to 5% at much higher pressures and at temperatures above 250 K. ? !``````````````````````````````````````````````````````````````````````````````` 167.6 !Lower temperature limit [K] 525. !Upper temperature limit [K] 50000. !Upper pressure limit [kPa] 13.141 !Maximum density [mol/L] CPP !Pointer to Cp0 model 56.10632 !Molar mass [g/mol] 167.6 !Triple point temperature [K] 0.07481 !Pressure at triple point [kPa] 13.14 !Density at triple point [mol/L] 274.03 !Normal boiling point temperature [K] 0.21 !Acentric factor 428.61 4027.3 4.213 !Tc [K], pc [kPa], rhoc [mol/L] 428.61 4.213 !Reducing parameters [K, mol/L] 8.314472 !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 0.81107 0.12 1. 0. !a(i),t(i),d(i),l(i) -2.8846 1.3 1. 0. 1.0265 1.74 1. 0. 0.016591 2.1 2. 0. 0.086511 0.28 3. 0. 0.00023256 0.69 7. 0. 0.22654 0.75 2. 1. -0.072182 2.0 5. 1. -0.24849 4.4 1. 2. -0.071374 4.7 4. 2. -0.024737 15.0 3. 3. 0.011843 14.0 4. 3. #AUX !---Auxiliary function for Cp0 CPP !Ideal gas heat capacity function for trans-butene of Lemmon and Ihmels (2005). ? ?``````````````````````````````````````````````````````````````````````````````` ?Lemmon, E.W. and Ihmels, E.C., 2015. ? !``````````````````````````````````````````````````````````````````````````````` 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 3.9988 0.0 5.3276 362.0 13.29 1603.0 9.6745 3729.0 0.40087 4527.0 #AUX !---Auxiliary function for PX0 PX0 !Helmholtz energy ideal-gas function for trans-butene of Lemmon and Ihmels (2005). ? ?``````````````````````````````````````````````````````````````````````````````` ?Lemmon, E.W. and Ihmels, E.C., 2015. ? !``````````````````````````````````````````````````````````````````````````````` 1 2 4 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau)) 2.9988 1.0 !ai, ti for [ai*log(tau**ti)] terms 0.5917836623979218 0.0 !aj, ti for [ai*tau**ti] terms 2.1427744975995116 1.0 !aj, ti for [ai*tau**ti] terms 5.3276 362.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms 13.29 1603.0 9.6745 3729.0 0.40087 4527.0 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ #TRN !---ECS Transport--- ECS !Extended Corresponding States model (Propane reference); predictive mode for trans-butene. :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 ? ?Estimated uncertainty 5% for gas phase; 20% for viscosity and thermal conductivity of liquid phase. ? Liquid phase data unavailable. ? ?The Lennard-Jones parameters were estimated 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 ? !``````````````````````````````````````````````````````````````````````````````` 167.6 !Lower temperature limit [K] 525.0 !Upper temperature limit [K] 50000.0 !Upper pressure limit [kPa] 13.141 !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) 0.5508 !Lennard-Jones coefficient sigma [nm] 259.0 !Lennard-Jones coefficient epsilon/kappa [K] 2 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2 0.00102143 0. 0. 0. !Coefficient, power of T, spare1, spare2 coeff from isobutene 6.64409e-7 1. 0. 0. !Coefficient, power of T, spare1, spare2 3 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2 1.12449 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare; coeff from isobutene -0.147034 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare 0.036655 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 0.838527 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare; coeff from isobutene 0.0648013 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 trans-butene 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) 0.21e-9 !Xi0 (amplitude) [m] 0.057 !Gam0 (amplitude) [-] 0.609e-9 !Qd_inverse (modified effective cutoff parameter) [m] 642.92 !Tref (reference temperature)=1.5*Tc [K] ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ #STN !---Surface tension--- ST1 !Surface tension model for trans-butene of Mulero et al. (2014). :DOI: 10.1063/1.4878755 ? ?``````````````````````````````````````````````````````````````````````````````` ?Mulero, A. and Cachadiņa, I., ? "Recommended Correlations for the Surface Tension of Several Fluids ? Included in the REFPROP Program," ? J. Phys. Chem. Ref. Data, 43, 023104, 2014. ? doi: 10.1063/1.4878755 ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 2 !Number of terms in surface tension model 428.61 !Critical temperature used in fit (dummy) 0.0001859 0.07485 !Sigma0 and n 0.05539 1.224 #PS !---Vapor pressure--- PS5 !Vapor pressure equation for trans-butene of Cullimore (2010). ? ?``````````````````````````````````````````````````````````````````````````````` ?Cullimore, I.D., 2010. ? ?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. ! 428.61 4027.3 !Reducing parameters 5 0 0 0 0 0 !Number of terms in equation -7.6226 1.0 7.9421 1.5 -6.9631 1.65 -6.5517 4.8 3.9584 5.3 #DL !---Saturated liquid density--- DL1 !Saturated liquid density equation for trans-butene of Cullimore (2010). ? ?``````````````````````````````````````````````````````````````````````````````` ?Cullimore, I.D., 2010. ? ?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. ! 428.61 4.213 !Reducing parameters 5 0 0 0 0 0 !Number of terms in equation 12.452 0.52 -34.419 0.73 52.257 0.97 -42.889 1.24 15.463 1.50 #DV !---Saturated vapor density--- DV3 !Saturated vapor density equation for trans-butene of Cullimore (2010). ? ?``````````````````````````````````````````````````````````````````````````````` ?Cullimore, I.D., 2010. ? ?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. ! 428.61 4.213 !Reducing parameters 6 0 0 0 0 0 !Number of terms in equation -3.1276 0.412 -6.0548 1.24 -18.243 3.2 -60.842 7.0 135.95 10.0 -182.70 11.0 @END c 1 2 3 4 5 6 7 8 c2345678901234567890123456789012345678901234567890123456789012345678901234567890