Dimethyl ether !Short name 115-10-6 !CAS number Methoxymethane !Full name (CH3)2O !Chemical formula {C2H6O} RE-170 !Synonym 46.06844 !Molar mass [g/mol] 131.66 !Triple point temperature [K] 248.368 !Normal boiling point [K] 400.378 !Critical temperature [K] 5336.845 !Critical pressure [kPa] 5.94 !Critical density [mol/L] 0.196 !Acentric factor 1.301 !Dipole moment [Debye]; Nelson, R.D., Lide, D.R., Maryott, A., NSRDS 10, NBS (1967) NBP !Default reference state 10.0 !Version number 1033 !UN Number :UN: ether !Family :Family: ???? !Heating value (upper) [kJ/mol] :Heat: 1. !GWP (IPCC 2007) :GWP: 8500. !RCL (ppm v/v, ASHRAE Standard 34, 2010) :RCL: A3 !Safety Group (ASHRAE Standard 34, 2010) :Safety: 1S/C2H6O/c1-3-2/h1-2H3 !Standard InChI String :InChi: LCGLNKUTAGEVQW-UHFFFAOYSA-N !Standard InChI Key :InChiKey: ???? !Alternative fluid for mixing rules :AltID: 8f27e300 !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. McLinden, NIST Physical and Chemical Properties Division, Boulder, Colorado ! 07-16-98 MM, Original version. ! 05-12-05 MLH, Add transport. ! 05-10-06 EWL, Add new Helmholtz EOS. ! 04-12-07 EWL, Change full name from ethylene oxide to methoxymethane. ! 01-06-09 MLH, Revise thermal conductivity. ! 06-29-10 YZ, Add Wu et al. equation of state. ! 08-19-10 IDC, Add density ancillary equations. ! 03-22-11 EWL, Change ttrp from 131.65 to 131.66 K. ! 03-28-11 EWL, Replace ancillaries with those from Wu et al. ! 03-08-12 EWL, Add viscosity equation of Meng et al. (2012). ! 12-06-12 EWL, Add surface tension coefficients of Mulero et al. (2012). ! 11-20-17 MLH, Revise ecs thermal conductivity. ________________________________________________________________________________ #EOS !---Equation of state--- FEQ !Helmholtz equation of state for dimethylether of Wu et al. (2011). :TRUECRITICALPOINT: 400.378 5.94 !True EOS critical point [K, mol/L] (where dP/dD=0 and d^2P/dD^2=0 at constant T) :DOI: 10.1063/1.3582533 ? ?``````````````````````````````````````````````````````````````````````````````` ?Wu, J., Zhou, Y., and Lemmon, E.W., ? "An Equation of State for the Thermodynamic Properties of Dimethyl Ether," ? J. Phys. Chem. Ref. Data, 40, 023104, 2011. ? ?The uncertainties (k = 2, indicating a level of confidence of 95%) of the ? equation of state in density are 0.1% in the liquid phase and 0.3% in the vapor ? phase. In the extended critical region, the uncertainty in density is 0.5%, ? except for very near the critical point. In the vapor-liquid region, the ? uncertainty in vapor pressure is 0.2% above 230 K, but increases as temperature ? decreases; the uncertainty in saturated liquid density is 0.05 %, except for ? very near the critical point. The uncertainty in heat capacity is 2.0 %. In the ? critical region, the uncertainties are higher for all properties except vapor ? pressure. ? !``````````````````````````````````````````````````````````````````````````````` 131.66 !Lower temperature limit [K] 525.0 !Upper temperature limit [K] 40000.0 !Upper pressure limit [kPa] 19.15 !Maximum density [mol/L] CPP !Pointer to Cp0 model 46.06844 !Molar mass [g/mol] 131.66 !Triple point temperature [K] 0.00221 !Pressure at triple point [kPa] 19.15 !Density at triple point [mol/L] 248.368 !Normal boiling point temperature [K] 0.196 !Acentric factor 400.378 5336.8 5.94 !Tc [K], pc [kPa], rhoc [mol/L] 400.378 5.94 !Reducing parameters [K, mol/L] 8.314472 !Gas constant [J/mol-K] 11 4 4 12 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms 0.029814139 1.0 4. 0. !a(i),t(i),d(i),l(i) 1.43517 0.4366 1. 0. -2.64964 1.011 1. 0. -0.29515532 1.137 2. 0. 0.17035607 0.45 3. 0. -0.94642918 2.83 1. 2. -0.099250514 1.5 3. 2. 1.1264071 1.235 2. 1. -0.76936548 2.675 2. 2. -0.020717696 0.7272 7. 1. 0.24527037 1.816 1. 1. 1.1863438 1.783 1. 2. 2. -0.965336 -1.287190 1.277720 0.672698 0. 0. 0. -0.49398368 3.779 1. 2. 2. -1.508580 -0.806235 0.430750 0.924246 0. 0. 0. -0.16388716 3.282 3. 2. 2. -0.963855 -0.777942 0.429607 0.750815 0. 0. 0. -0.027583584 1.059 3. 2. 2. -9.72643 -197.681 1.13849 0.800022 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 dimethylether of Wu et al. (2011). ? ?``````````````````````````````````````````````````````````````````````````````` ?Wu et al., 2011. ? !``````````````````````````````````````````````````````````````````````````````` 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 4.039 0.0 2.641 361.0 2.123 974.0 8.992 1916.0 6.191 4150.0 #AUX !---Auxiliary function for PX0 PX0 !Helmholtz energy ideal-gas function for dimethylether of Wu et al. (2011). ? ?``````````````````````````````````````````````````````````````````````````````` ?Wu et al., 2011. ? !``````````````````````````````````````````````````````````````````````````````` 1 2 4 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau)) 3.039 1.0 !ai, ti for [ai*log(tau**ti)] terms -1.9809687492709855 0.0 !aj, ti for [ai*tau**ti] terms 3.1712155645197 1.0 !aj, ti for [ai*tau**ti] terms 2.641 361.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms 2.123 974.0 8.992 1916.0 6.191 4150.0 #AUX !---Auxiliary function for PH0 PH0 !Ideal gas Helmholtz form for dimethylether. ? ?``````````````````````````````````````````````````````````````````````````````` ?Wu et al., 2011. ? !``````````````````````````````````````````````````````````````````````````````` 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 3.039 1.0 !ai, ti for [ai*log(tau**ti)] terms -1.9809704305 0.0 !aj, ti for [ai*tau**ti] terms 3.1712166102 1.0 2.641 -0.9016479427 !aj, ti for [ai*log(1-exp(ti*tau)] terms 2.123 -2.4327010975 8.992 -4.7854777236 6.191 -10.3652048814 -------------------------------------------------------------------------------- @EOS !---Equation of state--- FE1 !Helmholtz equation of state for dimethylether of Ihmels and Lemmon (2007). ? ?``````````````````````````````````````````````````````````````````````````````` ?Ihmels, E.C. and Lemmon, E.W. ? "Experimental Densities, Vapor Pressures, and Critical Point, and a ? Fundamental Equation of State for Dimethyl Ether," ? Fluid Phase Equilibria, 260:36-48, 2007. ? ?The uncertainty in density of the equation of state ranges from 0.1% in the ? liquid to 1% near the critical point. The uncertainty in heat capacities is ? 2%, and the uncertainty in vapor pressure is 0.25% at temperatures above 200 ? K. The uncertainty in vapor pressure increases at lower temperatures due to ? the lack of experimental data. In the critical region, the uncertainties ? are higher for all properties except vapor pressure. ? !``````````````````````````````````````````````````````````````````````````````` 131.65 !Lower temperature limit [K] 525.0 !Upper temperature limit [K] 40000.0 !Upper pressure limit [kPa] 19.15 !Maximum density [mol/L] CPP !Pointer to Cp0 model 46.06844 !Molar mass [g/mol] 131.65 !Triple point temperature [K] 0.0023 !Pressure at triple point [kPa] 19.15 !Density at triple point [mol/L] 248.34 !Normal boiling point temperature [K] 0.197 !Acentric factor 400.3 5340.5 6.013 !Tc [K], pc [kPa], rhoc [mol/L] 400.3 6.013 !Reducing parameters [K, mol/L] 8.314472 !Gas constant [J/mol-K] 10 4 0 0 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms 1.22690 0.21 1. 0. !a(i),t(i),d(i),l(i) -2.47245 1.0 1. 0. 0.119889 0.5 3. 0. 0.0000354 1.0 8. 0. 0.567139 1.4 2. 1. 0.166649 3.1 1. 1. -0.078412 1.5 5. 1. -0.289066 5.0 1. 2. -0.031272 5.9 4. 2. -0.065607 3.7 3. 2. ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ #ETA !---Viscosity--- VS1 !Pure fluid viscosity model for dimethylether of Meng et al. (2012). :DOI: 10.1021/je201297j ? ?``````````````````````````````````````````````````````````````````````````````` ?Meng, X., Zhang, J., Wu, J., and Liu, Z., ? "Experimental Measurement and Modeling of the Viscosity of Dimethyl Ether," ? J. Chem. Eng. Data, 57:988-993, 2012. ? !``````````````````````````````````````````````````````````````````````````````` 131.66 !Lower temperature limit [K] 525.0 !Upper temperature limit [K] 40000.0 !Upper pressure limit [kPa] 19.15 !Maximum density [mol/L] 1 !Number of terms associated with dilute-gas function CI1 !Pointer to reduced effective collision cross-section model 0.446704 !Lennard-Jones coefficient sigma [nm] 317.937 !Lennard-Jones coefficient epsilon/kappa [K] for ECS method 1.0 1.0 !Reducing parameters for T, eta 0.14508011 0.5 !Chapman-Enskog term 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 400.378 5.94 1.0 !Reducing parameters for T, rho, eta -2.70002 -5.92 3. 0. 0 !Simple polynomial terms 4.44583 -4.36 3. 0. 0 -104.998 -2.93 3. 0. 1 78.27474 -1.64 4. 0. 1 41.3751 -7.86 5. 0. 2 -175.055 -4.25 2. 0. 1 62.81975 -4.79 2. 0. 1 0.21302 -5.87 5. 0. 0 112.3219 -3.11 2. 0. 2 6.50681 -0.45 1. 0. 0 NUL !Pointer to the viscosity critical enhancement auxiliary function (none used) #AUX !---Auxiliary function for the collision integral CI1 !Collision integral model for dimethylether of Meng et al. (2012). ? ?``````````````````````````````````````````````````````````````````````````````` ?Meng, X., Zhang, J., Wu, J., and Liu, Z., 2012. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 3 !Number of terms 0.294261 0 !Coefficient, power of Tstar -0.377826 1 -0.491673 2 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ @TRN !---ECS Transport--- ECS !Extended Corresponding States model (Propane reference); fitted to data for dimethylether. :DOI: 10.6028/NIST.IR.8209 ? ?``````````````````````````````````````````````````````````````````````````````` ?*** ESTIMATION METHOD *** NOT STANDARD REFERENCE QUALITY *** ? ?Huber, M.L., (2018) "Models for the Viscosity, Thermal Conductivity, and ? Surface Tension of Selected Pure Fluids as Implemented in REFPROP v10.0", ? NISTIR 8209; doi: 10.6028/NIST.IR.8209 ? ?Reference for experimental data for viscosity ? Wu, J., Liu, Z., Bi, S. and Meng, X., "Viscosity of saturated liquid dimethyl ether from (227 to 343 )K", 2003,J. Chem. Eng. Data 48, 426-429. ? ?Reference for experimental data for thermal conductivity ? Wu, J., Li, X., Zheng. H. and Assael, M.J.,"Thermal Conductivity of Liquid Dimethyl Ether from 233 K to 373 K at Pressures up to 30 MPa" J. Chem. Eng. Data (2009) ? ?Estimated uncertainties based on deviations of the fit from the experimental data were: ? Liquid viscosity at saturation: < 1 % ? Liquid thermal conductivity at saturation, < 2 %, at pressures ? up to 30 MPa, < 6 % ? Gas phase thermal conductivity not validated; may have errors 10-15 % ? ?The Lennard-Jones parameters were taken from Reid, R.C., Prausnitz, J.M., and Poling, B.E., "The Properties of Gases and Liquids," 4th edition, New York, McGraw-Hill Book Company, 1987. ? !``````````````````````````````````````````````````````````````````````````````` 131.66 !Lower temperature limit [K] 450.0 !Upper temperature limit [K] 20000.0 !Upper pressure limit [kPa] 19.24 !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) 0.4307 !Lennard-Jones coefficient sigma [nm] 395.0 !Lennard-Jones coefficient epsilon/kappa [K] for ECS method 3 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2 -9.81010e-4 0. 0. 0. !Coefficient, power of T, spare1, spare2 1.22857e-5 1. 0. 0. !Coefficient, power of T, spare1, spare2 -1.60844e-8 2. 0. 0. !Coefficient, power of T, spare1, spare2 3 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2 1.81678 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare -0.696062 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare 0.13901 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 1.12497 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare -4.88562e-2 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 dimethylether 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) 0.189e-9 !Xi0 (amplitude) [m] 0.057 !Gam0 (amplitude) [-] 0.540e-9 !Qd_inverse (modified effective cutoff parameter) [m]; arbitrary guess 600.57 !Tref (reference temperature)=1.5*Tc [K] ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ #STN !---Surface tension--- ST1 !Surface tension model for dimethylether 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 400.378 !Critical temperature used in fit (dummy) 0.063157 1.2595 !Sigma0 and n #PS !---Vapor pressure--- PS5 !Vapor pressure equation for dimethylether of Wu et al. (2011). ? ?``````````````````````````````````````````````````````````````````````````````` ?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. ! 400.378 5336.8 !Reducing parameters 4 0 0 0 0 0 !Number of terms in equation -7.112782 1.0 1.971239 1.5 -2.276083 2.5 -2.215774 5.0 #DL !---Saturated liquid density--- DL1 !Saturated liquid density equation for dimethylether of Wu et al. (2011). ? ?``````````````````````````````````````````````````````````````````````````````` ?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. ! 400.378 5.94 !Reducing parameters 4 0 0 0 0 0 !Number of terms in equation 7.884834 0.54 -10.516328 0.74 5.39142 0.95 0.404890 11.43 #DV !---Saturated vapor density--- DV4 !Saturated vapor density equation for dimethylether of Wu et al. (2011). ? ?``````````````````````````````````````````````````````````````````````````````` ?Functional Form: D=Dc*EXP[SUM(Ni*Theta^(ti/3))] 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. ! 400.378 5.94 !Reducing parameters 5 0 0 0 0 0 !Number of terms in equation -4.136444 1.467 -4.302025 4.2 -12.032140 8.0 -39.527936 17.0 -89.476860 36.0 @END c 1 2 3 4 5 6 7 8 c2345678901234567890123456789012345678901234567890123456789012345678901234567890