Ethylbenzene !Short name 100-41-4 !CAS number Phenylethane !Full name C8H10 !Chemical formula {C8H10} Benzene, ethyl- !Synonym 106.165 !Molar mass [g/mol] 178.2 !Triple point temperature [K] 409.314 !Normal boiling point [K] 617.12 !Critical temperature [K] 3622.4 !Critical pressure [kPa] 2.741016 !Critical density [mol/L] 0.305 !Acentric factor 0.60 !Dipole moment [Debye]; DIPPR DIADEM 2012 NBP !Default reference state 10.0 !Version number ???? !UN Number :UN: aromatic !Family :Family: 4607.15 !Heating value (upper) [kJ/mol] :Heat: 1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3 !Standard InChI String :InChi: YNQLUTRBYVCPMQ-UHFFFAOYSA-N !Standard InChI Key :InChiKey: f174a9b0 (octane) !Alternative fluid for mixing rules :AltID: a4c64370 !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 ! 08-01-08 EWL, Original version. ! 04-01-13 SH, Add ancillary equations. ! 04-06-13 EWL, Add dipole moment. ! 04-17-14 EWL, Add surface tension coefficients of Mulero et al. (2014). ! 06-17-14 MLH, Add preliminary transport. ! 12-08-14 MLH, Add thermal conductivity model of Mylona et al. (2014). ! 11-22-16 EWL, Add viscosity equation of Meng et al. (2017). ________________________________________________________________________________ #EOS !---Equation of state--- FEQ !Helmholtz equation of state for ethylbenzene of Zhou et al. (2012). :TRUECRITICALPOINT: 617.12 2.741016 !True EOS critical point [K, mol/L] (where dP/dD=0 and d^2P/dD^2=0 at constant T) :DOI: 10.1063/1.3703506 ? ?``````````````````````````````````````````````````````````````````````````````` ?Zhou, Y., Lemmon, E.W., and Wu, J., ? "Thermodynamic Properties of o-Xylene, m-Xylene, p-Xylene, and Ethylbenzene," ? J. Phys. Chem. Ref. Data, 41, 023103, 2012. ? ?The uncertainty of the equation of state for ethylbenzene in vapor pressure ? is 0.3%. The uncertainties in saturated liquid density are 0.1% below ? 350 K and 0.2% at higher temperatures. The uncertainties in density are ? 0.1% below 5 MPa, 0.2% at higher pressures in the liquid region, and 1.0% ? in the critical and vapor regions. The uncertainties in saturation and ? isobaric heat capacities and in the speed of sound are estimated to be ? 1.0%. ? !``````````````````````````````````````````````````````````````````````````````` 178.2 !Lower temperature limit [K] 700.0 !Upper temperature limit [K] 60000.0 !Upper pressure limit [kPa] 9.124 !Maximum density [mol/L] CPP !Pointer to Cp0 model 106.165 !Molar mass [g/mol] 178.2 !Triple point temperature [K] 0.000004002 !Pressure at triple point [kPa] 9.123 !Density at triple point [mol/L] 409.314 !Normal boiling point temperature [K] 0.305 !Acentric factor 617.12 3622.4 2.741016 !Tc [K], pc [kPa], rhoc [mol/L] 617.12 2.741016 !Reducing parameters [K, mol/L] 8.314472 !Gas constant [J/mol-K] 12 4 4 12 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms 0.0018109418 1.0 5. 0. !a(i),t(i),d(i),l(i) -0.076824284 1.0 1. 0. 0.041823789 0.92 4. 0. 1.5059649 0.27 1. 0. -2.4122441 0.962 1. 0. -0.47788846 1.033 2. 0. 0.18814732 0.513 3. 0. -1.0657412 2.31 1. 2. -0.20797007 3.21 3. 2. 1.1222031 1.26 2. 1. -0.99300799 2.29 2. 2. -0.027300984 1.0 7. 1. 1.3757894 0.6 1. 2. 2. -1.178 -2.437 1.2667 0.5494 0. 0. 0. -0.44477155 3.6 1. 2. 2. -1.07 -1.488 0.4237 0.7235 0. 0. 0. -0.07769742 2.1 3. 2. 2. -1.775 -4.0 0.8573 0.493 0. 0. 0. -2.16719 0.5 3. 2. 2. -15.45 -418.6 1.15 0.8566 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 ethylbenzene of Zhou et al. (2012). ? ?``````````````````````````````````````````````````````````````````````````````` ?Zhou, Y., Lemmon, E.W., and Wu, J., 2012. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1.0 8.314472 !Reducing parameters for T, Cp0 1 3 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh 5.2557889 0.0 9.7329909 585.0 11.201832 4420.0 25.440749 1673.0 #AUX !---Auxiliary function for PX0 PX0 !Helmholtz energy ideal-gas function for ethylbenzene of Zhou et al. (2012). ? ?``````````````````````````````````````````````````````````````````````````````` ?Zhou, Y., Lemmon, E.W., and Wu, J., 2012. ? !``````````````````````````````````````````````````````````````````````````````` 1 2 3 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau)) 4.2557889 1.0 !ai, ti for [ai*log(tau**ti)] terms 5.7040936889063971 0.0 !aj, ti for [ai*tau**ti] terms -0.5241459501533468 1.0 !aj, ti for [ai*tau**ti] terms 9.7329909 585.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms 11.201832 4420.0 25.440749 1673.0 #AUX !---Auxiliary function for PH0 PH0 !Ideal gas Helmholtz form for ethylbenzene of Zhou et al. (2012). ? ?``````````````````````````````````````````````````````````````````````````````` ?Zhou, Y., Lemmon, E.W., and Wu, J., 2012. ? !``````````````````````````````````````````````````````````````````````````````` 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 4.2557889 1.0 !ai, ti for [ai*log(tau**ti)] terms 5.70409 0.0 !aj, ti for [ai*tau**ti] terms -0.52414353 1.0 9.7329909 -0.947951776 !aj, ti for [ai*log(1-exp(ti*tau)] terms 11.201832 -7.1623023075 25.440749 -2.7109800363 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ #ETA !---Viscosity--- VS6 !Pure fluid viscosity model for ethylbenzene of Meng et al. (2017). :DOI: 10.1063/1.4973501 ? ?``````````````````````````````````````````````````````````````````````````````` ?Meng, X.Y., Cao, F.L., Wu, J.T., and Vesovic, V., ? "Reference Correlation of the Viscosity of Ethylbenzene from Triple Point to 673 K and up to 110 MPa," ? J. Phys. Chem. Ref. Data, 46, 013101, 2017. ? !``````````````````````````````````````````````````````````````````````````````` 178.2 !Lower temperature limit [K] 700.0 !Upper temperature limit [K] 60000.0 !Upper pressure limit [kPa] 9.124 !Maximum density [mol/L] 1 !Number of terms associated with dilute-gas function CI3 !Pointer to reduced effective collision cross-section model 1.0 !Lennard-Jones coefficient sigma [nm] not used here 100.0 !Lennard-Jones coefficient epsilon/kappa [K] not used here 1.0 1.0 !Reducing parameters for T, eta 0.22115 0.5 !Chapman-Enskog term 0 !Number of terms for initial density dependence 0 10 4 1 0 0 !# resid terms: close-packed density; simple poly; numerator of rational poly; denominator of rat. poly; numerator of exponential; denominator of exponential 617.12 2.741016 1.0 !Reducing parameters for T, rho, eta 36.40453 0.0 1.0 0. 0 -48.2467141 -1.0 1.0 0. 0 11.9768141 -2.0 1.0 0. 0 -0.0376893 0.5 6.966666667 0. 0 0.168877 -0.6 6.966666667 0. 0 17.9684 0.5 0.966666667 0. 0 3.57702e-11 -2.9 24.366666667 0. 0 29.996 0.5 1.966666667 0. 0 -8.00082 1.5 0.966666667 0. 0 -25.7468 0.5 1.516666667 0. 0 -3.29316e-13 -20.8 4.6 0. 0 -2.92665e-13 -10.6 11.1 0. 0 2.97768e-13 -19.7 5.6 0. 0 1.76186e-18 -21.9 12.4 0. 0 1. 0.0 0.0 0. 2 NUL !Pointer to the viscosity critical enhancement auxiliary function (none used) #AUX !---Auxiliary function for the collision integral CI3 !Collision integral model for ethylbenzene of Meng et al. (2017). ? ?``````````````````````````````````````````````````````````````````````````````` ?Meng, X.Y., Cao, F.L., Wu, J.T., and Vesovic, V., 2017. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 3 !Number of terms -1.4933 0 !Coefficient, power of Tstar 4.732 -1 -5.7033 -2 ================================================================================ #TCX !---Thermal conductivity--- TC1 !Pure fluid thermal conductivity model for ethylbenzene of Mylona et al. (2014). :DOI: 10.1063/1.4901166 ? ?``````````````````````````````````````````````````````````````````````````````` ?Mylona, S.K., Antoniadis, K.D., Assael, M.J. Huber, M.L., and Perkins, R.A., ? "Reference Correlation of the Thermal Conductivity of o-Xylene, m-Xylene, ? p-Xylene, and Ethylbenzene from the Triple Point to 700 K and Moderate Pressures," ? J. Phys. Chem. Ref. Data, 48, 043104, 2014. ? ?The estimated uncertainty for thermal conductivity of liquid and supercritical densities at temperatures from the triple point ? to 400 K is 2.8%, and 2.5% in the dilute-gas region; uncertainties in the critical region are much larger. ? !``````````````````````````````````````````````````````````````````````````````` 178.2 !Lower temperature limit [K] 700.0 !Upper temperature limit [K] 60000.0 !Upper pressure limit [kPa] 9.124 !Maximum density [mol/L] 6 3 !# terms for dilute gas function: numerator, denominator 617.12 0.001 !Reducing parameters for T, tcx -1.10708 0. 10.8026 1. -28.9015 2. 41.9227 3. 20.9133 4. -4.01492 5. 0.259475 0. -0.343879 1. 1.0 2. 10 0 !# terms for background gas function: numerator, denominator 617.12 2.741016 1. !Reducing parameters for T, rho, tcx -0.0497837 0. 1. 0. 0.106739 0. 2. 0. -0.0685137 0. 3. 0. 0.0226133 0. 4. 0. -0.00279455 0. 5. 0. 0.0663073 1. 1. 0. -0.146279 1. 2. 0. 0.121439 1. 3. 0. -0.0462245 1. 4. 0. 0.00658554 1. 5. 0. TK3 !Pointer to critical enhancement auxiliary function #AUX !---Auxiliary function for the thermal conductivity critical enhancement TK3 !Simplified thermal conductivity critical enhancement for ethylbenzene 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) 0.235e-9 !Xi0 (amplitude) [m] 0.056 !Gam0 (amplitude) [-] 0.706e-9 !Qd_inverse (modified effective cutoff parameter) [m] 925.7 !Tref (reference temperature) [K] ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ @TRN !---ECS Transport--- ECS !Extended Corresponding States model (Propane reference); predictive mode for ethylbenzene. ? ?``````````````````````````````````````````````````````````````````````````````` ?*** ESTIMATION METHOD *** NOT STANDARD REFERENCE QUALITY *** ?Unpublished; uses method described in the following reference: ?Huber, M.L., Laesecke, A., and Perkins, R.A. ? "Model for the Viscosity and Thermal Conductivity of Refrigerants, Including ? a New Correlation for the Viscosity of R134a," ? Ind. Eng. Chem. Res., 42(13):3163-3178, 2003. doi: 10.1021/ie0300880 ? ?Estimated uncertainty for liquid viscosity at pressures to 60 MPa is 5% for 298 use estimates) 0.5781 !Lennard-Jones coefficient sigma [nm] for ECS method (estimated) 490.05 !Lennard-Jones coefficient epsilon/kappa [K] for ECS method (estimated) 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 2 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2 0.846125588 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare 0.046896067 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 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ #STN !---Surface tension--- ST1 !Surface tension model for ethylbenzene 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. ! 1 !Number of terms in surface tension model 617.12 !Critical temperature used in fit (dummy) 0.0638 1.22 !Sigma0 and n #PS !---Vapor pressure--- PS5 !Vapor pressure equation for ethylbenzene of Herrig (2013). ? ?``````````````````````````````````````````````````````````````````````````````` ?Herrig, S., 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. ! 617.12 3622.4 !Reducing parameters 4 0 0 0 0 0 !Number of terms in equation -7.8411 1.0 2.5921 1.5 -3.5020 2.5 -2.7613 5.4 #DL !---Saturated liquid density--- DL1 !Saturated liquid density equation for ethylbenzene of Herrig (2013). ? ?``````````````````````````````````````````````````````````````````````````````` ?Herrig, S., 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. ! 617.12 2.7410 !Reducing parameters 5 0 0 0 0 0 !Number of terms in equation 3.5146 0.43 -3.7537 0.83 5.4760 1.3 -3.4724 1.9 1.2141 3.1 #DV !---Saturated vapor density--- DV3 !Saturated vapor density equation for ethylbenzene of Herrig (2013). ? ?``````````````````````````````````````````````````````````````````````````````` ?Herrig, S., 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. ! 617.12 2.7410 !Reducing parameters 5 0 0 0 0 0 !Number of terms in equation -3.2877 0.42 -3.6071 0.98 -15.878 2.48 -53.363 5.9 -128.57 13.4 @END c 1 2 3 4 5 6 7 8 c2345678901234567890123456789012345678901234567890123456789012345678901234567890