o-Xylene !Short name 95-47-6 !CAS number 1,2-Dimethylbenzene !Full name C8H10 !Chemical formula {C8H10} o-Xylene !Synonym 106.165 !Molar mass [g/mol] 247.985 !Triple point temperature [K] 417.521 !Normal boiling point [K] 630.259 !Critical temperature [K] 3737.5 !Critical pressure [kPa] 2.6845 !Critical density [mol/L] 0.312 !Acentric factor 0.630 !Dipole moment [Debye]; DIPPR DIADEM 2012 NBP !Default reference state 10.0 !Version number ???? !UN Number :UN: aromatic !Family :Family: 4596.31 !Heating value (upper) [kJ/mol] :Heat: 1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3 !Standard InChI String :InChi: CTQNGGLPUBDAKN-UHFFFAOYSA-N !Standard InChI Key :InChiKey: f174a9b0 (octane) !Alternative fluid for mixing rules :AltID: 32008e80 !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 ! 03-03-09 EWL, Original version. ! 04-01-13 SH, Add ancillary equations. ! 04-06-13 EWL, Add dipole moment. ! 06-17-14 MLH, Add preliminary transport. ! 12-08-14 MLH, Add thermal conductivity model of Mylona et al. (2014). ! 04-17-14 EWL, Add surface tension coefficients of Mulero et al. (2014). ! 03-17-16 MLH, Add viscosity model of Cao et al. (2016). ________________________________________________________________________________ #EOS !---Equation of state--- FEQ !Helmholtz equation of state for o-xylene of Zhou et al. (2012). :TRUECRITICALPOINT: 630.259 2.6845 !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 o-xylene in vapor pressure is ? estimated to be 0.5% above 300 K. The uncertainty in saturated liquid ? density is 0.1% below 500 K, and increases to 0.5% at higher temperatures, ? due to a lack of experimental data. The uncertainties in density of the ? equation of state range from 0.1% in the compressed-liquid region to 1.0% ? in the critical and vapor regions. The uncertainty in sound speed is ? estimated to be 1.0%. The uncertainties in heat of vaporization, ? saturation heat capacity, and isobaric heat capacity are estimated to be ? 0.5%, 0.5%, and 1.0%, respectively. In the critical region, the ? uncertainties are higher for all properties. ? !``````````````````````````````````````````````````````````````````````````````` 247.985 !Lower temperature limit [K] 700.0 !Upper temperature limit [K] 70000.0 !Upper pressure limit [kPa] 8.648 !Maximum density [mol/L] CPP !Pointer to Cp0 model 106.165 !Molar mass [g/mol] 247.985 !Triple point temperature [K] 0.0228 !Pressure at triple point [kPa] 8.647 !Density at triple point [mol/L] 417.521 !Normal boiling point temperature [K] 0.312 !Acentric factor 630.259 3737.5 2.6845 !Tc [K], pc [kPa], rhoc [mol/L] 630.259 2.6845 !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 0.0036765156 1.0 5. 0. !a(i),t(i),d(i),l(i) -0.13918171 0.6 1. 0. 0.014104203 0.91 4. 0. 1.5398899 0.3 1. 0. -2.3600925 0.895 1. 0. -0.44359159 1.167 2. 0. 0.19596977 0.435 3. 0. -1.0909408 2.766 1. 2. -0.21890801 3.8 3. 2. 1.1179223 1.31 2. 1. -0.93563815 3.0 2. 2. -0.018102996 0.77 7. 1. 1.4172368 1.41 1. 2. 2. -1.1723 -2.442 1.2655 0.552 0. 0. 0. -0.57134695 4.8 1. 2. 2. -1.095 -1.342 0.3959 0.728 0. 0. 0. -0.081944041 1.856 3. 2. 2. -1.6166 -3.0 0.7789 0.498 0. 0. 0. -40.682878 2.0 3. 2. 2. -20.4 -450.0 1.162 0.894 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 o-xylene 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 4 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh 3.748798 0.0 4.754892 225.0 6.915052 627.0 25.84813 1726.0 10.93886 4941.0 #AUX !---Auxiliary function for PX0 PX0 !Helmholtz energy ideal-gas function for o-xylene of Zhou et al. (2012). ? ?``````````````````````````````````````````````````````````````````````````````` ?Zhou, Y., Lemmon, E.W., and Wu, J., 2012. ? !``````````````````````````````````````````````````````````````````````````````` 1 2 4 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau)) 2.748798 1.0 !ai, ti for [ai*log(tau**ti)] terms 10.1373795661858708 0.0 !aj, ti for [ai*tau**ti] terms -0.9128323735238781 1.0 !aj, ti for [ai*tau**ti] terms 4.754892 225.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms 6.915052 627.0 25.84813 1726.0 10.93886 4941.0 #AUX !---Auxiliary function for PH0 PH0 !Ideal gas Helmholtz form for o-xylene of Zhou et al. (2012). ? ?``````````````````````````````````````````````````````````````````````````````` ?Zhou, Y., Lemmon, E.W., and Wu, J., 2012. ? !``````````````````````````````````````````````````````````````````````````````` 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 2.748798 1.0 !ai, ti for [ai*log(tau**ti)] terms 10.137376 0.0 !aj, ti for [ai*tau**ti] terms -0.91282993 1.0 4.754892 -0.3569960921 !aj, ti for [ai*log(1-exp(ti*tau)] terms 6.915052 -0.9948291099 25.84813 -2.7385566886 10.93886 -7.8396341821 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ #ETA !---Viscosity--- VS6 !Pure fluid viscosity model for o-xylene of Cao et al. (2016). :DOI: 10.1063/1.4945663 ? ?``````````````````````````````````````````````````````````````````````````````` ?Cao, F.L., Meng, X.Y., Wu, J.T., and Vesovic, V., ? "Reference Correlation of the Viscosity of ortho-Xylene from 273 K to 673 K and up to 110 MPa," ? J. Phys. Chem. Ref. Data, 45, 023102, 2016. ? doi: 10.1063/1.4945663 ? ?The overall uncertainty of the proposed correlation varies from 1% for the viscosity of gas at atmospheric pressure ? to 5% for the viscosity at high pressures and temperatures. ? !``````````````````````````````````````````````````````````````````````````````` 247.985 !Lower temperature limit [K] 700.0 !Upper temperature limit [K] 70000.0 !Upper pressure limit [kPa] 8.648 !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 1.0 !Lennard-Jones coefficient epsilon/kappa [K] not used here 1.0 1.0 !Reducing parameters for T, eta 0.22225 1.0 !Chapman-Enskog term 0.021357*SQRT(MW) 0 !Number of terms for initial density dependence 0 10 0 0 0 0 !# resid terms: close-packed density; simple poly; numerator of rational poly; denominator of rat. poly; numerator of exponential; denominator of exponential 630.259 2.6845 1.0 !Reducing parameters for T, rho, eta 35.6539183 0.0 1.0 0. 0 -46.2668725 -1.0 1.0 0. 0 11.24608 -2.0 1.0 0. 0 -0.00205581 0.5 10.966667 0. 0 0.00265651 -0.3 10.966667 0. 0 2.38762 0.5 3.966667 0. 0 1.77616e-12 -3.9 25.666667 0. 0 10.4497 0.5 2.366667 0. 0 -18.2446 1.5 1.366667 0. 0 15.9587 0.5 1.066667 0. 0 #AUX !---Auxiliary function for the collision integral CI3 !Collision integral model for o-xylene of Cao et al. (2016). ? ?``````````````````````````````````````````````````````````````````````````````` ?Cao, F.L., Meng, X.Y., Wu, J.T., and Vesovic, V., 2016. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 3 !Number of terms -1.4933 0 !Coefficient, power of Tstar 473.2 -1 -57033. -2 ================================================================================ #TCX !---Thermal conductivity--- TC1 !Pure fluid thermal conductivity model for o-xylene 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 uncertainty for thermal conductivity of liquid and supercritical densities for temperatures ? from the triple point to 400 K to be 2.6%, and 4% at higher temperatures, and in the dilute-gas region ? the uncertainty is estimated to be 2%. Uncertainties in the critical region are much larger. ? !``````````````````````````````````````````````````````````````````````````````` 247.985 !Lower temperature limit [K] 700.0 !Upper temperature limit [K] 70000.0 !Upper pressure limit [kPa] 9. !Maximum density [mol/L] 5 3 !# terms for dilute gas function: numerator, denominator 630.259 0.001 !Reducing parameters for T, tcx -0.837488 0. 12.7856 1. -37.1925 2. 63.9548 3. -4.43443 4. 0.262226 0. -0.490519 1. 1.0 2. 10 0 !# terms for background gas function: numerator, denominator 630.259 2.6845 1. !Reducing parameters for T, rho, tcx -0.0346292 0. 1. 0. 0.0757735 0. 2. 0. -0.0674378 0. 3. 0. 0.027695 0. 4. 0. -0.00374238 0. 5. 0. 0.0455879 1. 1. 0. -0.0594473 1. 2. 0. 0.0550012 1. 3. 0. -0.0255522 1. 4. 0. 0.00418805 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 o-xylene 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) 0.236e-9 !Xi0 (amplitude) [m] 0.058 !Gam0 (amplitude) [-] 0.711e-9 !Qd_inverse (modified effective cutoff parameter) [m] 945.4 !Tref (reference temperature) [K] ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ @TRN !---ECS Transport--- ECS !Extended Corresponding States model (Propane reference); predictive mode for o-xylene. ? ?``````````````````````````````````````````````````````````````````````````````` ?*** 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 70 MPa is 5% for 298 use estimates) 0.5820 !Lennard-Jones coefficient sigma [nm] for ECS method (estimated) 500.48 !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 0.8148050 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare 0.0589219 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 o-xylene 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 630.259 !Critical temperature used in fit (dummy) 0.06477 1.227 !Sigma0 and n #PS !---Vapor pressure--- PS5 !Vapor pressure equation for o-xylene 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. ! 630.259 3737.5 !Reducing parameters 5 0 0 0 0 0 !Number of terms in equation -7.2834 1.0 -1.5813 1.5 7.6516 1.9 -7.9953 2.4 -2.2277 6.0 #DL !---Saturated liquid density--- DL1 !Saturated liquid density equation for o-xylene 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. ! 630.259 2.6845 !Reducing parameters 6 0 0 0 0 0 !Number of terms in equation 0.9743 0.3 16.511 0.96 -52.934 1.4 87.962 1.9 -71.719 2.4 22.569 3.0 #DV !---Saturated vapor density--- DV3 !Saturated vapor density equation for o-xylene 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. ! 630.259 2.6845 !Reducing parameters 7 0 0 0 0 0 !Number of terms in equation -1.29038 0.32 -33.3428 1.14 142.046 1.7 -292.211 2.2 293.950 2.8 -159.504 3.5 -88.2170 9.8 @END c 1 2 3 4 5 6 7 8 c2345678901234567890123456789012345678901234567890123456789012345678901234567890