Diethyl ether !Short name 60-29-7 !CAS number Diethyl ether !Full name C4H10O !Chemical formula {C4H10O} Ethyl ether !Synonym 74.1216 !Molar mass [g/mol] 156.92 !Triple point temperature [K] 307.604 !Normal boiling point [K] 466.7 !Critical temperature [K] 3720.2 !Critical pressure [kPa] 3.5617 !Critical density [mol/L] 0.29 !Acentric factor 1.151 !Dipole moment [Debye]; DIPPR DIADEM 2012 NBP !Default reference state 10.0 !Version number 1155 !UN Number :UN: ether !Family :Family: ???? !Heating value (upper) [kJ/mol] :Heat: 1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3 !Standard InChI String :InChi: RTZKZFJDLAIYFH-UHFFFAOYSA-N !Standard InChI Key :InChiKey: ???? !Alternative fluid for mixing rules :AltID: 46a701e0 !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. Thol, Thermodynamics, Ruhr-Universitaet Bochum, Germany ! 08-14-12 MT, Original version. ! 08-14-12 MT, Add ancillary equations. ! 04-01-13 SH, Add ancillary equations. ! 04-06-13 EWL, Add dipole moment. ! 03-26-14 MLH, Add preliminary transport. ! 04-17-14 EWL, Add surface tension coefficients of Mulero et al. (2014). ! 04-22-14 MT, Add PH0 parameters for NBP. ! 03-29-17 MLH, Refit vis, th cond. ________________________________________________________________________________ #EOS !---Equation of state--- FEQ !Helmholtz equation of state for diethyl ether of Thol et al. (2014). :TRUECRITICALPOINT: 467.900 3.456402 !True EOS critical point [K, mol/L] (where dP/dD=0 and d^2P/dD^2=0 at constant T) :DOI: 10.1007/s10765-014-1633-1 ? ?``````````````````````````````````````````````````````````````````````````````` ?Thol, M., Piazza, L., and Span, R., ? "A New Functional Form for Equations of State for Some Polar and Weakly ? Associating Fluids," ? Int. J. Thermophys., 35(5):783-811, 2014. ? !``````````````````````````````````````````````````````````````````````````````` 270.0 !Lower temperature limit [K] 500.0 !Upper temperature limit [K] 40000.0 !Upper pressure limit [kPa] 11.48 !Maximum density [mol/L] CPP !Pointer to Cp0 model 74.1216 !Molar mass [g/mol] 156.92 !Triple point temperature [K] 0.0005555 !Pressure at triple point [kPa] 11.48 !Density at triple point [mol/L] 307.604 !Normal boiling point temperature [K] 0.29 !Acentric factor 466.7 3720.2 3.5617148 !Tc [K], pc [kPa], rhoc [mol/L] 466.7 3.5617148 !Reducing parameters [K, mol/L] 8.314472 !Gas constant [J/mol-K] 16 4 0 0 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms 0.376700499 -0.75 1. 0. !a(i),t(i),d(i),l(i) -0.116630334 -0.25 1. 0. -0.73801498 1.25 1. 0. -0.2725701 0.75 2. 0. -0.04979231 -1.0 3. 0. 0.172267029 -0.375 3. 0. 0.0044161891 1.25 5. 0. -1.53951612 2.375 1. 1. 1.15606052 3.0 1. 1. -0.0184504019 2.625 2. 1. -0.101800599 1.875 5. 1. -0.403598704 4.5 1. 2. 0.00213055571 5.75 3. 2. -0.154741976 5.375 4. 2. 0.0120950552 2.75 5. 2. -0.0143106371 14.5 2. 3. #AUX !---Auxiliary function for Cp0 CPP !Ideal gas heat capacity function for diethyl ether of Thol et al. (2014). ? ?``````````````````````````````````````````````````````````````````````````````` ?Thol, M., Piazza, L., and Span, R., 2014. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1.0 8.314472 !Reducing parameters for T, Cp0 4 0 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh 4.36281 0.0 0.03832793 1.0 -0.00001504648 2.0 1.960074e-9 3.0 #AUX !---Auxiliary function for PX0 PX0 !Helmholtz energy ideal-gas function for diethyl ether of Thol et al. (2014). ? ?``````````````````````````````````````````````````````````````````````````````` ?Thol, M., Piazza, L., and Span, R., 2014. ? !``````````````````````````````````````````````````````````````````````````````` 1 5 0 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau)) 3.36281 1.0 !ai, ti for [ai*log(tau**ti)] terms 7.030415236514175 0.0 !aj, ti for [ai*tau**ti] terms 0.5095228896650534 1.0 !aj, ti for [ai*tau**ti] terms 0.03832793 -1.0 -0.00001504648 -2.0 1.960074e-9 -3.0 #AUX !---Auxiliary function for PH0 PH0 !Ideal gas Helmholtz form for diethyl ether. ? ?``````````````````````````````````````````````````````````````````````````````` ?Thol, M., Piazza, L., and Span, R., 2014. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1 5 0 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau)); cosh; sinh 3.36281 1.0 !ai, ti for [ai*log(tau**ti)] terms 6.371861 0.0 !aj, ti for [ai*tau**ti] terms 1.522773 1.0 -8.943822 -1.0 0.54621 -2.0 -0.016604 -3.0 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ #TRN !---ECS Transport--- ECS !Extended Corresponding States model (Propane reference) for diethyl ether. :DOI: 10.6028/NIST.IR.8209 ? ?``````````````````````````````````````````````````````````````````````````````` ?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 ? ?VISCOSITY ? Meng, X., Zheng, P., Wu, J., Liu, Z., "Density and Viscosity Measurements of Diethyl Ether from 243 to 373 K and up to 20 MPa," Fluid Phase Equilib., 271:1-5, 2008. Estimated uncertainty: liquid phase 3% at pressures to 20 MPa, gas phase 10%. ? ?THERMAL CONDUCTIVITY ? Li, X., Wu, J., Dang, Q., "Thermal Conductivity of Liquid Diethyl Ether, Diisopropyl Ether, and Di-n-butyl Ether from (233 to 373) K at Pressures up to 30 MPa," J. Chem. Eng. Data, 55:1241-1246, 2010, estimated uncertainty 10% gas phase, 3% liquid phase at pressures to 30 MPa and T<375 K. ? ?The Lennard-Jones parameters were estimated with the method of Chung. ? !``````````````````````````````````````````````````````````````````````````````` 230.0 !Lower temperature limit [K] 500.0 !Upper temperature limit [K] 40000.0 !Upper pressure limit [kPa] 11.48 !Maximum density [mol/L] FEQ PROPANE.FLD VS1 !Model for reference fluid viscosity TC1 !Model for reference fluid thermal conductivity BIG !Large molecule identifier 0.90 0. 0. 0. !Large molecule parameters 1 !Lennard-Jones flag (0 or 1) (0 => use estimates) 0.530 !Lennard-Jones coefficient sigma [nm] 370.6 !Lennard-Jones coefficient epsilon/kappa [K] 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 3 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2 1.15039 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare -0.1535 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare 0.0330048 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 1.16276 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare -0.0357361 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 diethyl ether 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) 0.196e-9 !Xi0 (amplitude) [m] 0.066 !Gam0 (amplitude) [-] 0.645e-9 !Qd_inverse (modified effective cutoff parameter) [m]; estimated-not fitted to data 700.05 !Tref (reference temperature)=1.5*Tc [K] ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ #STN !---Surface tension--- ST1 !Surface tension model for diethyl ether 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 466.7 !Critical temperature used in fit (dummy) 0.3995 1.466 !Sigma0 and n -0.3455 1.523 #PS !---Vapor pressure--- PS5 !Vapor pressure equation for diethyl ether 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. ! 466.70 3644.0 !Reducing parameters 4 0 0 0 0 0 !Number of terms in equation -7.3059 1.0 1.1734 1.5 0.7142 2.2 -4.3219 3.0 #DL !---Saturated liquid density--- DL1 !Saturated liquid density equation for diethyl ether 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. ! 466.70 3.5617 !Reducing parameters 4 0 0 0 0 0 !Number of terms in equation 0.3275 0.12 3.1842 0.55 -2.1407 1.0 1.4376 1.4 #DV !---Saturated vapor density--- DV3 !Saturated vapor density equation for diethyl ether 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. ! 466.70 3.5617 !Reducing parameters 5 0 0 0 0 0 !Number of terms in equation -0.35858 0.06 -16.843 0.87 32.476 1.3 -33.444 1.7 -48.036 5.3 @END c 1 2 3 4 5 6 7 8 c2345678901234567890123456789012345678901234567890123456789012345678901234567890