MD4M !Short name 107-52-8 !CAS number Tetradecamethylhexasiloxane !Full name C14H42O5Si6 !Chemical formula {C14H42O5Si6} MD4M !Synonym 458.99328 !Molar mass [g/mol] 214.15 !Triple point temperature [K] 532.905 !Normal boiling point [K] 653.2 !Critical temperature [K] 840.37 !Critical pressure [kPa] 0.57 !Critical density [mol/L] 0.806 !Acentric factor 1.308 !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/C14H42O5Si6/c1-20(2,3)15-22(7,8)17-24(11,12)19-25(13,14)18-23(9,10)16-21(4,5)6/h1-14H3 :InChi: !Standard InChI String ADANNTOYRVPQLJ-UHFFFAOYSA-N !Standard InChI Key :InChiKey: eabdcbe0 !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 ! 12-22-05 EWL, Original version. ! 08-23-10 IDC, Add ancillary density 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 range and uncertainty for transport. ! 04-02-18 MK, Add new EOS of Thol et al. ! 04-03-18 MLH, Revise transport with new EOS. ________________________________________________________________________________ #EOS !---Equation of state--- FEQ !Helmholtz equation of state for MD4M of Thol et al. (2018). :TRUECRITICALPOINT: 653.2 0.57 !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 uncertainties in the equation of state are: ? Density in the liquid phase: 0.1%; no data available in the vapor phase. ? Speed of sound in the liquid phase: 0.2 %; no data available in the vapor phase. ? Vapor pressure: 0.8% for T = 450 - 550 K. ? No other data available. ? !``````````````````````````````````````````````````````````````````````````````` 214.15 !Lower temperature limit [K] 655.0 !Upper temperature limit [K] 125000.0 !Upper pressure limit [kPa] 2.108 !Maximum density [mol/L] CPP !Pointer to Cp0 model 458.99328 !Molar mass [g/mol] 214.15 !Triple point temperature [K] 0.0000000007 !Pressure at triple point [kPa] 2.108 !Density at triple point [mol/L] 532.905 !Normal boiling point temperature [K] 0.806 !Acentric factor 653.2 840.37 0.57 !Tc [K], pc [kPa], rhoc [mol/L] 653.2 0.57 !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 0.04276263 1. 4. 0. !a(i),t(i),d(i),l(i) 1.2263602 0.18 1. 0. -3.3391321 0.87 1. 0. -0.50554586 0.87 2. 0. 0.53997503 0.46 3. 0. -5.5108287 1.4 1. 2. -2.6859014 1.67 3. 2. -0.48708642 1.3 2. 1. -3.6795017 1.03 2. 2. -0.072409149 1.01 7. 1. 11.859925 0.79 1. 2. 2. -0.727 -0.31 1.36 0.932 0. 0. 0. -0.003527599 2.4 1. 2. 2. -21.6 -1497. 1.05 0.952 0. 0. 0. -1.3583141 1.08 3. 2. 2. -0.79 -0.34 1.17 0.821 0. 0. 0. -0.61146101 3.1 2. 2. 2. -1.01 -0.3 1.23 0.873 0. 0. 0. -4.318422 0.82 2. 2. 2. -0.928 -0.58 0.79 0.714 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 MD4M 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 38.43 6400.0 97.16 610.0 69.73 2480.0 #AUX !---Auxiliary function for PX0 PX0 !Helmholtz energy ideal-gas function for MD4M 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 88.1098538523522166 0.0 !aj, ti for [ai*tau**ti] terms -39.5615881787045325 1.0 !aj, ti for [ai*tau**ti] terms 38.43 6400.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms 97.16 610.0 69.73 2480.0 -------------------------------------------------------------------------------- @EOS !---Equation of state--- FE1 !Helmholtz equation of state for MD4M of Colonna et al. (2006). ? ?``````````````````````````````````````````````````````````````````````````````` ?Colonna, P., Nannan, N.R., Guardone, A., Lemmon, E.W., ? Multiparameter Equations of State for Selected Siloxanes, ? Fluid Phase Equilibria, 244:193-211, 2006. ? !``````````````````````````````````````````````````````````````````````````````` 300.0 !Lower temperature limit [K] 673.0 !Upper temperature limit [K] 30000.0 !Upper pressure limit [kPa] 2.09 !Maximum density [mol/L] CP1 !Pointer to Cp0 model 458.99328 !Molar mass [g/mol] 214.15 !Triple point temperature [K] 0.000000001033 !Pressure at triple point [kPa] 2.09 !Density at triple point [mol/L] 533.9 !Normal boiling point temperature [K] 0.825 !Acentric factor 653.2 877.47 0.62235694 !Tc [K], pc [kPa], rhoc [mol/L] 653.2 0.62235694 !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 1.18492421 0.25 1. 0. !a(i),t(i),d(i),l(i) -1.87465636 1.125 1. 0. -0.06571351 1.5 1. 0. -0.61812689 1.375 2. 0. 0.19535804 0.25 3. 0. 0.0005067874 0.875 7. 0. 1.23544082 0.625 2. 1. 0.049462708 1.75 5. 1. -0.73685283 3.625 1. 2. -0.19991438 3.625 4. 2. -0.055118673 14.5 3. 3. 0.028325885 12.0 4. 3. @AUX !---Auxiliary function for Cp0 CP1 !Ideal gas heat capacity function for MD4M of Colonna et al. (2006). ? ?``````````````````````````````````````````````````````````````````````````````` ?Colonna, P., Nannan, N.R., Guardone, A., Lemmon, E.W., ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1.0 1.0 !Reducing parameters for T, Cp0 4 0 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh -20.071 0.0 2.2285 1.0 -0.0013114 2.0 2.862e-7 3.0 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ #TRN !---ECS Transport--- ECS !Extended Corresponding States model (Nitrogen reference); fit to extremely limited data for MD4M. :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. ? Data not found for vapor phase; estimated uncertainty is 10%. ? ?THERMAL CONDUCTIVITY ? No experimental data for this fluid found. Estimated uncertainty approximately ? 10-15% in liquid phase at saturation, larger elsewhere. Estimated uncertainty ? is 25% for vapor phase. ? ?The Lennard-Jones parameters were estimated with the method of Chung. ? !``````````````````````````````````````````````````````````````````````````````` 214.15 !Lower temperature limit [K] 655.0 !Upper temperature limit [K] 10000.0 !Upper pressure limit [kPa] 2.108 !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) 0.976 !Lennard-Jones coefficient sigma [nm] 518.7 !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 1.45542 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare -0.154807 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 1.91993 0. 0. 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 MD4M 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) 0.347e-9 !Xi0 (amplitude) [m] 0.070 !Gam0 (amplitude) [-] 1.208e-9 !Qd_inverse (modified effective cutoff parameter) [m] 979.80 !Tref (reference temperature) [K] ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ #STN !---Surface tension--- ST1 !Surface tension model for MD4M 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 653.2 !Critical temperature used in fit (dummy) 0.040798 1.3323 !Sigma0 and n #PS !---Vapor pressure--- PS5 !Vapor pressure equation for MD4M of Thol et al. (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. ! 653.2 840.37 !Reducing parameters 6 0 0 0 0 0 !Number of terms in equation -9.82500 1.0 !Coefficients and exponents 1.50300 1.5 0.00897 0.44 4.94900 5.66 -14.9447 3.5 -6.42050 9.64 #DL !---Saturated liquid density--- DL1 !Saturated liquid density equation for MD4M of Thol et al. (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. ! 653.2 0.57 !Reducing parameters 5 0 0 0 0 0 !Number of terms in equation 2.5259 0.387 !Coefficients and exponents 4.055 1.28 -12.506 1.78 15.6 2.28 -6.3 2.827 #DV !---Saturated vapor density--- DV3 !Saturated vapor density equation for MD4M of Thol et al. (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. ! 653.2 0.57 !Reducing parameters 6 0 0 0 0 0 !Number of terms in equation -3.287 0.4136 !Coefficients and exponents -75.9181 1.6253 173.706 2.02 -143.6 2.444 -99.969 6.42 -260.1 13.9 @END c 1 2 3 4 5 6 7 8 c2345678901234567890123456789012345678901234567890123456789012345678901234567890