Butene !Short name 106-98-9 !CAS number 1-Butene !Full name CH3-CH2-CH=CH2 !Chemical formula {C4H8} 1-Butylene !Synonym 56.10632 !Molar mass [g/mol] 87.8 !Triple point temperature [K] 266.84 !Normal boiling point [K] 419.29 !Critical temperature [K] 4005.1 !Critical pressure [kPa] 4.24 !Critical density [mol/L] 0.192 !Acentric factor 0.339 !Dipole moment [Debye]; Nelson, R.D., Lide, D.R., Maryott, A., NSRDS 10, National Bureau of Standards, Washington, D.C. (1967). NBP !Default reference state 10.0 !Version number 1012 !UN Number :UN: n-alkene !Family :Family: 2716.82 !Heating value (upper) [kJ/mol] :Heat: 1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3 !Standard InChI String :InChi: VXNZUUAINFGPBY-UHFFFAOYSA-N !Standard InChI Key :InChiKey: 7b3b4080 (butane) !Alternative fluid for mixing rules :AltID: cd7a06d0 !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.L. Huber, NIST Physical and Chemical Properties Division, Boulder, Colorado ! 11-06-02 MLH, Original version. ! 03-08-04 EWL, Add short EOS. ! 10-14-04 MLH, Add family. ! 11-16-06 MLH, Add LJ parameters. ! 06-10-10 CKL, Add ancillary equations. ! 12-06-12 EWL, Add surface tension coefficients of Mulero et al. (2012). ! 05-04-16 MLH, Add viscosity and thermal conductivity equations. ________________________________________________________________________________ #EOS !---Equation of state--- FEQ !Helmholtz equation of state for 1-butene of Lemmon and Ihmels (2005). :TRUECRITICALPOINT: 419.29 4.24 !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., 228-229:173-187, 2005. doi: 10.1016/j.fluid.2004.09.004 ? ?The uncertainties of densities calculated by the equation of state ? (based on a coverage factor of 2) are 0.1% in the liquid phase at ? temperatures above 270 K (rising to 0.5% in density 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 vapor ? pressure is 0.25% above 200 K. The uncertainty in heat capacities is ? 0.5% at saturated liquid conditions, rising to 5% at much higher ? pressures and at temperatures above 350 K. ? !``````````````````````````````````````````````````````````````````````````````` 87.8 !Lower temperature limit [K] 525. !Upper temperature limit [K] 70000. !Upper pressure limit [kPa] 14.59 !Maximum density [mol/L] CPP !Pointer to Cp0 model 56.10632 !Molar mass [g/mol] 87.8 !Triple point temperature [K] 0.0000000005945 !Pressure at triple point [kPa] 14.58 !Density at triple point [mol/L] 266.84 !Normal boiling point temperature [K] 0.192 !Acentric factor 419.29 4005.1 4.24 !Tc [K], pc [kPa], rhoc [mol/L] 419.29 4.24 !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 0.78084 0.12 1. 0. !a(i),t(i),d(i),l(i) -2.8258 1.3 1. 0. 0.99403 1.74 1. 0. 0.017951 2.1 2. 0. 0.088889 0.28 3. 0. 0.00024673 0.69 7. 0. 0.22846 0.75 2. 1. -0.074009 2.0 5. 1. -0.22913 4.4 1. 2. -0.062334 4.7 4. 2. -0.025385 15.0 3. 3. 0.011040 14.0 4. 3. #AUX !---Auxiliary function for Cp0 CPP !Ideal gas heat capacity function for 1-butene of Lemmon and Ihmels (2005). ? ?``````````````````````````````````````````````````````````````````````````````` ?Lemmon, E.W. and Ihmels, E.C., 2005. ? !``````````````````````````````````````````````````````````````````````````````` 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 3.9197 0.0 2.9406 274.0 6.5395 951.0 14.535 2127.0 5.8971 5752.0 #AUX !---Auxiliary function for PX0 PX0 !Helmholtz energy ideal-gas function for 1-butene of Lemmon and Ihmels (2005). ? ?``````````````````````````````````````````````````````````````````````````````` ?Lemmon, E.W. and Ihmels, E.C., 2005. ? !``````````````````````````````````````````````````````````````````````````````` 1 2 4 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau)) 2.9197 1.0 !ai, ti for [ai*log(tau**ti)] terms -0.0010091976793234 0.0 !aj, ti for [ai*tau**ti] terms 2.3869160711679962 1.0 !aj, ti for [ai*tau**ti] terms 2.9406 274.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms 6.5395 951.0 14.535 2127.0 5.8971 5752.0 #AUX !---Auxiliary function for PH0 PH0 !Ideal gas Helmholtz form for butene. ? ?``````````````````````````````````````````````````````````````````````````````` ?Lemmon, E.W. and Ihmels, E.C., 2005. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1 2 4 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau)); cosh; sinh 2.9197 1.0 !ai, ti for [ai*log(tau**ti)] terms 14.87266 0.0 !aj, ti for [ai*tau**ti] terms -4.167698 1.0 2.9406 -0.6534856543 !aj, ti for [ai*log(1-exp(ti*tau)] terms 6.5395 -2.268119917 14.535 -5.0728612655 5.8971 -13.7184287724 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ #TRN !---ECS Transport--- ECS !Extended Corresponding States model (Propane reference); predictive mode for 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 is unavailable. ? ?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 ? !``````````````````````````````````````````````````````````````````````````````` 87.8 !Lower temperature limit [K] 525.0 !Upper temperature limit [K] 70000.0 !Upper pressure limit [kPa] 14.59 !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) 0.5198 !Lennard-Jones coefficient sigma [nm] 319.0 !Lennard-Jones coefficient epsilon/kappa [K] 2 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2 9.00239e-4 0. 0. 0. !Coefficient, power of T, spare1, spare2 1.13436e-6 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 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) 0.211e-9 !Xi0 (amplitude) [m] 0.057 !Gam0 (amplitude) [-] 0.607e-9 !Qd_inverse (modified effective cutoff parameter) [m] 628.94 !Tref (reference temperature)=1.5*Tc [K] ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ #STN !---Surface tension--- ST1 !Surface tension model for butene of Mulero et al. (2012). :DOI: 10.1063/1.4768782 ? ?``````````````````````````````````````````````````````````````````````````````` ?Mulero, A., Cachadiņa, I., and Parra, M.I., ? "Recommended Correlations for the Surface Tension of Common Fluids," ? J. Phys. Chem. Ref. Data, 41(4), 043105, 2012. doi: 10.1063/1.4768782 ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1 !Number of terms in surface tension model 419.29 !Critical temperature used in fit (dummy) 0.05644 1.248 !Sigma0 and n #PS !---Vapor pressure--- PS5 !Vapor pressure equation for butene of Lemmon (2010). ? ?``````````````````````````````````````````````````````````````````````````````` ?Lemmon, C.K. and Lemmon, E.W., 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. ! 419.29 4005.1 !Reducing parameters 5 0 0 0 0 0 !Number of terms in equation -7.1727 1.0 2.6360 1.5 -2.0781 2.0 -2.8860 4.35 -1.3041 16.0 #DL !---Saturated liquid density--- DL1 !Saturated liquid density equation for butene of Lemmon (2010). ? ?``````````````````````````````````````````````````````````````````````````````` ?Lemmon, C.K. and Lemmon, E.W., 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. ! 419.29 4.24 !Reducing parameters 5 0 0 0 0 0 !Number of terms in equation 16.857 0.547 -46.280 0.73 53.727 0.92 -23.314 1.14 1.8889 2.1 #DV !---Saturated vapor density--- DV3 !Saturated vapor density equation for butene of Lemmon (2010). ? ?``````````````````````````````````````````````````````````````````````````````` ?Lemmon, C.K. and Lemmon, E.W., 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. ! 419.29 4.24 !Reducing parameters 6 0 0 0 0 0 !Number of terms in equation -3.1106 0.415 -6.3103 1.27 -19.272 3.34 -48.739 7.0 -99.898 14.5 -190.01 28.0 @END c 1 2 3 4 5 6 7 8 c2345678901234567890123456789012345678901234567890123456789012345678901234567890