Methyl palmitate !Short name 112-39-0 !CAS number Methyl hexadecanoate !Full name C17H34O2 !Chemical formula {C17H34O2} Methyl ester palmitic acid !Synonym 270.45066 !Molar mass [g/mol] 302.71 !Triple point temperature [K] TDE, Jan 2010 602.269 !Normal boiling point [K] 755.0 !Critical temperature [K] 1350.0 !Critical pressure [kPa] 0.897 !Critical density [mol/L] 0.91 !Acentric factor 1.54 !Dipole moment [Debye] NBP !Default reference state 10.0 !Version number ???? !UN Number :UN: FAME !Family :Family: ???? !Heating value (upper) [kJ/mol] :Heat: 1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3 :InChi: !Standard InChI String FLIACVVOZYBSBS-UHFFFAOYSA-N !Standard InChI Key :InChiKey: 111888d0 (decane) !Alternative fluid for mixing rules :AltID: 27c9ec60 !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.L. Huber, NIST Physical and Chemical Properties Division, Boulder, Colorado ! 03-25-08 MLH, Original version. ! 09-02-08 EWL, Add equation of state. ! 11-21-08 MLH, Add preliminary predictive transport. ! 08-20-10 IDC, Add ancillary equations. ! 10-25-10 MLH, Revise estimation for thermal conductivity based on methyl oleate. ! 11-06-10 MLH, Revise ECS viscosity with data of pratas 2010. ! 04-17-14 EWL, Add surface tension coefficients of Mulero et al. (2014). ________________________________________________________________________________ #EOS !---Equation of state--- FEQ !Helmholtz equation of state for methyl palmitate of Huber et al. (2009). :TRUECRITICALPOINT: 755.0 0.897 !True EOS critical point [K, mol/L] (where dP/dD=0 and d^2P/dD^2=0 at constant T) :DOI: 10.1021/ef900159g ? ?``````````````````````````````````````````````````````````````````````````````` ?Huber, M.L., Lemmon, E.W., Kazakov, A., Ott, L.S., and Bruno, T.J., ? "Model for the Thermodynamic Properties of a Biodiesel Fuel," ? Energy & Fuels, 23:3790-3797, 2009. ? ?The uncertainties in the liquid phase between 270 K and 350 K are 0.6% for ? density, 0.4% for speed of sound, and 5% for heat capacity. The uncertainty ? in vapor pressure between 350 K and 500 K is 5%, and increases at lower ? temperatures due to the limited data and very low pressures. Uncertainties in ? the critical region and the vapor phase are unknown due to the lack of data. ? !``````````````````````````````````````````````````````````````````````````````` 302.71 !Lower temperature limit [K] 1000.0 !Upper temperature limit [K] 50000.0 !Upper pressure limit [kPa] 3.36 !Maximum density [mol/L] CPP !Pointer to Cp0 model 270.45066 !Molar mass [g/mol] 242.0 !Triple point temperature [K] 0.0000000008149 !Pressure at triple point [kPa] 3.36 !Density at triple point [mol/L] 602.269 !Normal boiling point temperature [K] 0.91 !Acentric factor 755.0 1350.0 0.897 !Tc [K], pc [kPa], rhoc [mol/L] 755.0 0.897 !Reducing parameters [K, mol/L] 8.314472 !Gas constant [J/mol-K] 10 4 3 12 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms 0.04282821 1.0 4. 0. !a(i),t(i),d(i),l(i) 2.443162 0.36 1. 0. -3.75754 1.22 1. 0. -0.1588526 1.45 2. 0. 0.0405599 0.7 3. 0. -1.52409 3.0 1. 2. -0.7686167 3.9 3. 2. 1.79995 2.2 2. 1. -1.590967 2.9 2. 2. -0.01267681 1.25 7. 1. 2.198347 2.6 1. 2. 2. -1.1 -0.9 1.14 0.79 0. 0. 0. -0.7737211 3.0 1. 2. 2. -1.6 -0.65 0.65 0.90 0. 0. 0. -0.4314520 3.2 3. 2. 2. -1.1 -0.75 0.77 0.76 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 methyl palmitate of Huber et al. (2009). ? ?``````````````````````````````````````````````````````````````````````````````` ?TDE 3.0 internal version, March 2008, Planck-Einstein form ? based on estimation from Joback method, uncertainty 10%. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1.0 1.0 !Reducing parameters for T, Cp0 1 3 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh 120.529 0.0801627 345.62 2952.37 289.038 734.653 301.639 1593.55 #AUX !---Auxiliary function for PX0 PX0 !Helmholtz energy ideal-gas function for methyl palmitate of Huber et al. (2009). ? ?``````````````````````````````````````````````````````````````````````````````` ?TDE 3.0 internal version, March 2008, Planck-Einstein form ? based on estimation from Joback method, uncertainty 10%. ? !``````````````````````````````````````````````````````````````````````````````` 1 3 3 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau)) -1.0 1.0 !ai, ti for [ai*log(tau**ti)] terms 335.2736896883265558 0.0 !aj, ti for [ai*tau**ti] terms -29.8060021337400016 1.0 !aj, ti for [ai*tau**ti] terms 14.4963115944104981 -0.0801627 41.5685454393561429 2952.37 34.7632927397159364 734.653 36.2788451992996599 1593.55 ================================================================================ #TCX !---Thermal conductivity--- TC1 !Pure fluid thermal conductivity model for methyl palmitate of Huber (2018). :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 ? ?The correlation below is an estimation, based on results for methyl oleate, adjusted for ? application to methyl palmitate. ? ?The estimated uncertainty of the correlation for the liquid phase is 5%. The dilute gas is ? based on predicted values and uncertainties are larger, on the order of 10-30%. ? !``````````````````````````````````````````````````````````````````````````````` 302.71 !Lower temperature limit [K] 1000.0 !Upper temperature limit [K] 50000.0 !Upper pressure limit [kPa] 3.36 !Maximum density [mol/L] 4 0 !# terms for dilute gas function: numerator, denominator 755.0 1.0 !Reducing parameters for T, tcx -0.00027125 0. 0.00259365 1. 0.0350241 2. -0.00902273 3. 10 0 !# terms for background gas function: numerator, denominator 755.0 0.897 1. !Reducing parameters for T, rho, tcx -0.0410106 0. 1. 0. 0.0328443 0. 2. 0. -0.00418506 0. 3. 0. 0.0 0. 4. 0. 0.0 0. 5. 0. 0.0606657 1. 1. 0. -0.0498407 1. 2. 0. 0.0121752 1. 3. 0. 0.0 1. 4. 0. 0.0 1. 5. 0. TK3 !Pointer to critical enhancement auxiliary function ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ @TRN !---ECS Transport--- ECS !Extended Corresponding States model (Propane reference) for methyl palmitate. :DOI: 10.6028/NIST.IR.8209 ? ?``````````````````````````````````````````````````````````````````````````````` ?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 ? ?VISCOSITY ? Estimated uncertainty approximately 5% for liquid at atmospheric pressure, ? Estimated uncertainty otherwise approximately 10-50% ? Values based on estimation method of extended corresponding states; ? ?THERMAL CONDUCTIVITY ? Values based on estimation method of ? extended corresponding states; Estimated uncertainty approximately 10-50% ? ?The Lennard-Jones parameters were estimated with the method of Chung. ? !``````````````````````````````````````````````````````````````````````````````` 302.71 !Lower temperature limit [K] 1000.0 !Upper temperature limit [K] 50000.0 !Upper pressure limit [kPa] 3.36 !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) 0.8388 !Lennard-Jones coefficient sigma [nm] from method Chung=0.809vc*(1/3)A 599.54 !Lennard-Jones coefficient epsilon/kappa [K] from Chung=Tc/1.2593 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 1.441560 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare -0.253261 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare 0.0359069 0. 2. 0. !Coefficient, power of Tr, power of Dr, spare 1 0 0 !Number of terms in chi (t.c. shape factor): poly,spare1,spare2 1.190 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 methyl palmitate of Olchowy and Sengers (1989). ? ?``````````````````````````````````````````````````````````````````````````````` ?Olchowy, G.A. and Sengers, J.V., ? "A Simplified Representation for the Thermal Conductivity of Fluids in the Critical Region," ? Int. J. Thermophys., 10:417-426, 1989. doi: 10.1007/BF01133538 ? !``````````````````````````````````````````````````````````````````````````````` 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) 1.03 !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) 0.194e-9 !Xi0 (amplitude) [m] 0.0496 !Gam0 (amplitude) [-] 0.875e-9 !Qd_inverse (modified effective cutoff parameter) [m]; based on butane 1132.5 !Tref (reference temperature)=1.5*Tc [K] ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ #STN !---Surface tension--- ST1 !Surface tension model for methyl palmitate 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 755.0 !Critical temperature used in fit (dummy) 0.025039 3.0422 !Sigma0 and n 0.044451 1.1654 #PS !---Vapor pressure--- PS5 !Vapor pressure equation for methyl palmitate of Cullimore (2010). ? ?``````````````````````````````````````````````````````````````````````````````` ?Cullimore, I.D., 2010. ? ?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. ! 755.0 1350.0 !Reducing parameters 5 0 0 0 0 0 !Number of terms in equation -13.378 1.0 12.258 1.5 -12.205 2.04 -5.8118 4.3 -2.5451 8.0 #DL !---Saturated liquid density--- DL1 !Saturated liquid density equation for methyl palmitate of Cullimore (2010). ? ?``````````````````````````````````````````````````````````````````````````````` ?Cullimore, I.D., 2010. ? ?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. ! 755.0 0.897 !Reducing parameters 5 0 0 0 0 0 !Number of terms in equation -0.54203 0.18 13.191 0.5 -20.107 0.7 11.328 0.9 -0.60761 1.5 #DV !---Saturated vapor density--- DV3 !Saturated vapor density equation for methyl palmitate of Cullimore (2010). ? ?``````````````````````````````````````````````````````````````````````````````` ?Cullimore, I.D., 2010. ? ?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. ! 755.0 0.897 !Reducing parameters 6 0 0 0 0 0 !Number of terms in equation -11.612 0.65 163.0 1.78 -479.13 2.15 729.86 2.7 -482.02 3.1 -181.98 9.8 @END c 1 2 3 4 5 6 7 8 c2345678901234567890123456789012345678901234567890123456789012345678901234567890