MD3M !Short name 141-63-9 !CAS number Dodecamethylpentasiloxane !Full name C12H36Si5O4 !Chemical formula {C12H36Si5O4} MD3M !Synonym 384.839 !Molar mass [g/mol] 192.0 !Triple point temperature [K] 503.032 !Normal boiling point [K] 628.96 !Critical temperature [K] 961.12 !Critical pressure [kPa] 0.7 !Critical density [mol/L] 0.723 !Acentric factor 1.223 !Dipole moment [Debye]; DIPPR DIADEM 2012 NBP !Default reference state 10.0 !Version number ???? !UN Number :UN: siloxane !Family :Family: ???? !Heating value (upper) [kJ/mol] :Heat: 1S/C12H36O4Si5/c1-17(2,3)13-19(7,8)15-21(11,12)16-20(9,10)14-18(4,5)6/h1-12H3 :InChi: !Standard InChI String FBZANXDWQAVSTQ-UHFFFAOYSA-N !Standard InChI Key :InChiKey: 7d394df0 !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 T.M. Blackham, NIST Physical and Chemical Properties Division, Boulder, Colorado ! 04-19-10 TMB, Original version. ! 08-23-10 IDC, Add ancillary equations. ! 02-15-11 MLH, Add preliminary transport. ! 04-06-13 EWL, Add dipole moment. ! 04-17-14 EWL, Add surface tension coefficients of Mulero et al. (2014). ! 01-27-16 MLH, Revise transport. ! 02-06-17 MLH, Revise uncertainty limits and range of ECS model. ! 02-16-17 KG, Add ancillary equations. ! 08-05-17 MK, Add new EOS of König and Thol. ! 12-21-17 MLH, Revise transport with new EOS. ________________________________________________________________________________ #EOS !---Equation of state--- FEQ !Helmholtz equation of state for MD3M of Thol et al. (2018). :TRUECRITICALPOINT: 628.96 0.7 !True EOS critical point [K, mol/L] (where dP/dD=0 and d^2P/dD^2=0 at constant T) :DOI: ? ?``````````````````````````````````````````````````````````````````````````````` ?Thol, M., Javed, M.A., Baumhoegger, E., Span, R., and Vrabec, J., ? "Thermodynamic Properties of Dodecamethylpentasiloxane, ? Tetradecamethylhexasiloxane, and Decamethylcyclopentasiloxane," ? to be submitted to Fluid Phase Equilib., 2018 ? ?The uncertainty in the equation of state is 0.2 % in density in the liquid phase, ? and is unkown in the vapor phase. For speed of sound in the liquid phase, ? the uncertainty is 0.4 % (with no data available in the vapor phase), and for ? vapor pressure it is 0.15 % for temperatures between 390 and 520 K. ? !``````````````````````````````````````````````````````````````````````````````` 192.0 !Lower temperature limit [K] 630.0 !Upper temperature limit [K] 125000. !Upper pressure limit [kPa] 2.53 !Maximum density [mol/L] CPP !Pointer to Cp0 model 384.839 !Molar mass [g/mol] 192.0 !Triple point temperature [K] 0.000000000203 !Pressure at triple point [kPa] 2.53 !Density at triple point [mol/L] 503.032 !Normal boiling point temperature [K] 0.723 !Acentric factor 628.96 961.12 0.7 !Tc [K], pc [kPa], rhoc [mol/L] 628.96 0.7 !Reducing parameters [K, mol/L] 8.3144598 !Gas constant [J/mol-K] 10 4 5 12 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms 0.04906305 1.0 4. 0. !a(i),t(i),d(i),l(i) 1.693388 0.18 1. 0. -2.651199 0.88 1. 0. -1.24071 0.87 2. 0. 0.5979957 0.55 3. 0. -4.489986 1.72 1. 2. -1.838087 2.8 3. 2. 1.07023 1.08 2. 1. -2.526278 1.49 2. 2. -0.06520235 1.02 7. 1. 7.767276 1.0 1. 2. 2. -0.8 -0.5 1.34 0.885 0. 0. 0. -0.006926687 1.13 1. 2. 2. -12.96 -1198.7 1.05 0.955 0. 0. 0. -1.078341 1.45 3. 2. 2. -1.07 -0.29 1.1 0.85 0. 0. 0. -1.14881 1.46 2. 2. 2. -0.7 -0.51 1.01 0.79 0. 0. 0. -2.244494 1.2 2. 2. 2. -1.185 -0.68 0.7 0.58 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 MD3M of Thol et al. (2018). ? ?``````````````````````````````````````````````````````````````````````````````` ?Thol, M., Javed, M.A., Baumhoegger, E., Span, R., and Vrabec, J., 2018. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1.0 8.3144598 !Reducing parameters for T, Cp0 1 3 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh 4.0 0.0 81.2386 610.0 61.1910 2500.0 51.1798 7500.0 #AUX !---Auxiliary function for PX0 PX0 !Helmholtz energy ideal-gas function for MD3M of Thol et al. (2018). ? ?``````````````````````````````````````````````````````````````````````````````` ?Thol, M., Javed, M.A., Baumhoegger, E., Span, R., and Vrabec, J., 2018. ? !``````````````````````````````````````````````````````````````````````````````` 1 2 3 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau)) 3.0 1.0 !ai, ti for [ai*log(tau**ti)] terms 68.1699868894220344 0.0 !aj, ti for [ai*tau**ti] terms -29.8081594318726495 1.0 !aj, ti for [ai*tau**ti] terms 81.2386 610.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms 61.191 2500.0 51.1798 7500.0 -------------------------------------------------------------------------------- @EOS !---Equation of state--- FE1 !Helmholtz equation of state for MD3M of Colonna et al. (2008). ? ?``````````````````````````````````````````````````````````````````````````````` ?Colonna, P., Nannan, N.R., and Guardone, A., ? "Multiparameter Equations of State for Siloxanes," ? Fluid Phase Equilibria, 263:115-130, 2008. ? !``````````````````````````````````````````````````````````````````````````````` 193.0 !Lower temperature limit [K] 673. !Upper temperature limit [K] 30000. !Upper pressure limit [kPa] 2.54 !Maximum density [mol/L] CP1 !Pointer to Cp0 model 384.839 !Molar mass [g/mol] 193.0 !Triple point temperature [K] 0.000000000271 !Pressure at triple point [kPa] 2.54 !Density at triple point [mol/L] 503.02 !Normal boiling point temperature [K] 0.722 !Acentric factor 628.36 945.0 0.6857981627 !Tc [K], pc [kPa], rhoc [mol/L] 628.36 0.6857981627 !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 1.20540386 0.25 1. 0. !a(i),t(i),d(i),l(i) -2.42914797 1.125 1. 0. 0.69016432 1.5 1. 0. -0.69268041 1.375 2. 0. 0.18506046 0.25 3. 0. 0.00031161436 0.875 7. 0. 0.99862519 0.625 2. 1. 0.074229034 1.75 5. 1. -0.80259136 3.625 1. 2. -0.20865337 3.625 4. 2. -0.036461791 14.5 3. 3. 0.019174051 12.0 4. 3. @AUX !---Auxiliary function for Cp0 CP1 !Ideal gas heat capacity function for MD3M of Colonna et al. (2008). ? ?``````````````````````````````````````````````````````````````````````````````` ?Colonna, P., Nannan, N.R., and Guardone, A., ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1.0 1.0 !Reducing parameters for T, Cp0 1 0 1 1 0 0 0 !Nterms: polynomial, exponential, cosh, sinh 463.2 0.0 609372332.2 -2.0 908.5 -1.0 -2.0 4290277999.0 -2.0 2117.1 -1.0 -2.0 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ #TRN !---ECS Transport--- ECS !Extended Corresponding States model (Nitrogen reference); fit to limited data for MD3M. :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 ? Wilcock, D.F., "Vapor Pressure-Viscosity Relations in Methylpolysiloxanes," J. Amer. Chem. Soc., 68:691, 1946. ? Hurd, C.B., "Studies on Siloxanes. I. The Specific Volume and Viscosity in Relation to Temperature and Constitution," J. Amer. Chem. Soc., 68:364, 1946. ? ?The estimated uncertainty of the liquid phase at atmospheric pressure is ? estimated to be 3%, rising to 10% at pressures to 10 MPa. ? Gas phase data unavailable; estimated uncertainty in the vapor phase is 10%. ? ?THERMAL CONDUCTIVITY ? Bates, O.K., "Thermal Conductivity of Liquid Silicones," Ind. Eng. Chem., 41:1966, 1949. doi: 10.1021/ie50477a030 ? ?The uncertainty of the thermal conductivity of the liquid phase is estimated ? to be 5% for T<400 K at pressures to 10 MPa, 10% at higher temperatures and pressures. ? Gas phase data unavailable; estimated uncertainty in the vapor phase is 25%. ? ?The Lennard-Jones parameters were estimated with the method of Chung. ? !``````````````````````````````````````````````````````````````````````````````` 193.0 !Lower temperature limit [K] 673.0 !Upper temperature limit [K] 10000.0 !Upper pressure limit [kPa] 2.54 !Maximum density [mol/L] FEQ NITROGEN.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) 0.911 !Lennard-Jones coefficient sigma [nm] 499.5 !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 2 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2 1.45796 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare -0.15796 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 1.72213 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare; 4.09027d0 TK3 !Pointer to critical enhancement auxiliary function #AUX !---Auxiliary function for the thermal conductivity critical enhancement TK3 !Simplified thermal conductivity critical enhancement for MD3M 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) 0.330e-9 !Xi0 (amplitude) [m] 0.066 !Gam0 (amplitude) [-] 1.127e-9 !Qd_inverse (modified effective cutoff parameter) [m] 943.44 !Tref (reference temperature) [K] ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ #STN !---Surface tension--- ST1 !Surface tension model for MD3M of Mulero et al. (2014). :DOI: 10.1063/1.4878755 ? ?``````````````````````````````````````````````````````````````````````````````` ?Mulero, A. and Cachadińa, 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 628.36 !Critical temperature used in fit (dummy) 0.03972 1.254 !Sigma0 and n #PS !---Vapor pressure--- PS5 !Vapor pressure equation for MD3M of König and Thol (2018). ? ?``````````````````````````````````````````````````````````````````````````````` ?Thol, M., Javed, M.A., Baumhoegger, E., Span, R., and Vrabec, J., 2018. ? ?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. ! 628.96 961.12 !Reducing parameters 6 0 0 0 0 0 !Number of terms in equation -9.773 1.0 7.28 1.5 -24.761 1.95 -34.348 2.803 43.384 2.37 -4.0954 10.48 #DL !---Saturated liquid density--- DL1 !Saturated liquid density equation for MD3M of König and Thol (2018). ? ?``````````````````````````````````````````````````````````````````````````````` ?Thol, M., Javed, M.A., Baumhoegger, E., Span, R., and Vrabec, J., 2018. ? ?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. ! 628.96 0.7 !Reducing parameters 5 0 0 0 0 0 !Number of terms in equation 1.4321 0.2945 3.4013 0.86 -4.2146 1.4 3.1199 2.0 -0.36264 2.74 #DV !---Saturated vapor density--- DV3 !Saturated vapor density equation for MD3M of König and Thol (2018). ? ?``````````````````````````````````````````````````````````````````````````````` ?Thol, M., Javed, M.A., Baumhoegger, E., Span, R., and Vrabec, J., 2018. ? ?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. ! 628.96 0.7 !Reducing parameters 6 0 0 0 0 0 !Number of terms in equation -2.21196 0.3423 -8.11823 0.974 -25.2915 2.83 -74.468 5.484 -180.51 11.75 -388.60 23.9 @END c 1 2 3 4 5 6 7 8 c2345678901234567890123456789012345678901234567890123456789012345678901234567890