Undecane !Short name 1120-21-4 !CAS number Undecane !Full name CH3-9(CH2)-CH3 !Chemical formula {C11H24} n-Undecane !Synonym 156.30826 !Molar mass [g/mol] 247.606 !Triple point temperature [K] evaluated value from NIST TDE, v10.1 468.934 !Normal boiling point [K] 638.8 !Critical temperature [K] 1990.4 !Critical pressure [kPa] 1.5149 !Critical density [mol/L] 0.539 !Acentric factor 0.0 !Dipole moment [Debye]; Dornte, R.W. and C.P. Smyth, J. Am. Chem. Soc., 52, 3346-3352 (1930). NBP !Default reference state 10.0 !Version number 2330 !UN Number :UN: n-alkane !Family :Family: 7488.14 !Heating value (upper) [kJ/mol] :Heat: 1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3 :InChi: !Standard InChI String RSJKGSCJYJTIGS-UHFFFAOYSA-N !Standard InChI Key :InChiKey: 111888d0 (decane) !Alternative fluid for mixing rules :AltID: 62f46c40 !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 ! 10-28-03 EWL, Original version. ! 09-01-06 MLH, Add CPP, ECS predictive transport, modified ttp. ! 04-25-07 MLH, Add prelim ECS fit for k, vis. ! 11-04-09 MLH, Add Planck-Einstein cp0. ! 03-20-13 EWL, Add EOS of Alexandrov et al. ! 04-01-13 SH, Add ancillary equations. ! 04-06-13 EWL, Add dipole moment. ! 04-17-14 EWL, Add surface tension coefficients of Mulero et al. (2014). ! 04-28-16 MLH, Revise viscosity and thermal conductivity. ! 06-01-16 MLH, Use new Riesco and Vesovic method for LJ parameters and redo viscosity and k. ! 02-13-17 MLH, Redo ECS viscosity. ! 05-09-17 MLH, Add new k correlation. ! 06-06-17 MLH, Add new viscosity correlation, revised triple point temperature. ________________________________________________________________________________ #EOS !---Equation of state--- FEQ !Helmholtz equation of state for undecane of Alexandrov et al. (2011). :TRUECRITICALPOINT: 638.8 1.5149 !True EOS critical point [K, mol/L] (where dP/dD=0 and d^2P/dD^2=0 at constant T) :DOI: 10.1134/S0040601511080027 ? ?``````````````````````````````````````````````````````````````````````````````` ?Alexandrov, I.S., Gerasimov, A.A., and Grigor'ev, B.A., ? "Using Fundamental Equations of State for Calculating the Thermodynamic ? Properties of Normal Undecane," ? Thermal Engineering, 58(8):691-698, 2011. doi: 10.1134/S0040601511080027 ? ?The average relative errors of the thermodynamic quantities calculated from the ? fundamental EOS have the following values: saturated vapor pressure, 0.2-0.8% ? (values larger than 0.4% are observed only at temperatures above 500 K); ? saturated liquid density, 0.05-0.15%; saturated vapor density, 0.2-0.4% at ? temperatures below 500 K, and at higher temperatures the error reaches 3-4%; ? liquid phase density, 0.1-0.3%; gaseous phase density, 0.20-0.35%; and heat ? capacities and speed of sound, 0.4-0.8%. ? !``````````````````````````````````````````````````````````````````````````````` 247.606 !Lower temperature limit [K] 700.0 !Upper temperature limit [K] 500000.0 !Upper pressure limit [kPa] 4.97 !Maximum density [mol/L] CPP !Pointer to Cp0 model 156.30826 !Molar mass [g/mol] 247.541 !Triple point temperature [K] 0.0004461 !Pressure at triple point [kPa] 4.962 !Density at triple point [mol/L] 468.934 !Normal boiling point temperature [K] 0.539 !Acentric factor 638.8 1990.4 1.5149 !Tc [K], pc [kPa], rhoc [mol/L] 638.8 1.5149 !Reducing parameters [K, mol/L] 8.314472 !Gas constant [J/mol-K] 14 4 0 0 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms -0.66172706 1.5 1. 0. !a(i),t(i),d(i),l(i) 1.3375396 0.25 1. 0. -2.5608399 1.25 1. 0. 0.10678910 0.25 3. 0. 0.00028873614 0.875 7. 0. 0.049587209 1.375 2. 0. 0.55407101e-7 0.0 1. 1. 0.99754712 2.375 1. 1. 1.5774025 2. 2. 1. 0.0013108354 2.125 5. 1. -0.59326961 3.5 1. 2. -0.093001876 6.5 1. 2. -0.17960228 4.75 4. 2. -0.022560853 12.5 2. 3. #AUX !---Auxiliary function for Cp0 CPP !Ideal gas heat capacity function for undecane of Alexandrov et al. (2011). ? ?``````````````````````````````````````````````````````````````````````````````` ?Refit of the Alexandrov (2011) equation by Tim Eisenbach, 2018. ? Above 180 K, differences are generally less than 0.05%. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1.0 8.314472 !Reducing parameters for T, Cp0 1 3 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh 5.9624 0.0 20.584 323.0 44.512 1597.0 16.520 3302.0 #AUX !---Auxiliary function for PX0 PX0 !Helmholtz energy ideal-gas function for undecane of Alexandrov et al. (2011). ? ?``````````````````````````````````````````````````````````````````````````````` ?Refit of the Alexandrov (2011) equation by Tim Eisenbach, 2018. ? Above 180 K, differences are generally less than 0.05%. ? !``````````````````````````````````````````````````````````````````````````````` 1 2 3 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau)) 4.9624 1.0 !ai, ti for [ai*log(tau**ti)] terms 32.12928483616682 0.0 !aj, ti for [ai*tau**ti] terms -10.75942326931605 1.0 !aj, ti for [ai*tau**ti] terms 20.584 323.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms 44.512 1597.0 16.520 3302.0 #AUX !---Auxiliary function for Cp0 CP1 !Ideal gas heat capacity function for undecane of Alexandrov et al. (2011). ? ?``````````````````````````````````````````````````````````````````````````````` ?Alexandrov, I.S., Gerasimov, A.A., and Grigor'ev, B.A., 2011. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1.0 8.314472 !Reducing parameters for T, Cp0 6 0 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh -1158848.0 -2.0 20321.8 -1.0 -119.4274 0.0 0.4284215 1.0 -0.0004157728 2.0 1.61828e-7 3.0 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ #ETA !---Viscosity--- VS7 !Pure fluid viscosity model for undecane of Assael et al. (2017). :DOI: 10.1063/1.4996885 ? ?``````````````````````````````````````````````````````````````````````````````` ?Assael, M.J., Papalas, T.B., and Huber, M.L., ? "Reference Correlations for the Viscosity and Thermal Conductivity of n-Undecane," ? J. Phys. Chem. Ref. Data, 46(3), 033103, 2017. doi: 10.1063/1.4996885 ? ?The estimated uncertainty at a 95% confidence level is 2.4% for the viscosity of ? low-density gas (pressures below 0.5 MPa), and 5% for the viscosity of the ? liquid over the temperature range from 260 K to 520 K at pressures up to 60 MPa. ? !``````````````````````````````````````````````````````````````````````````````` 247.606 !Lower temperature limit [K] 700.0 !Upper temperature limit [K] 500000.0 !Upper pressure limit [kPa] 4.97 !Maximum density [mol/L] NUL !Omega model ! !Dilute gas function $DG RED SUM:6 SUM:2 / ! !Residual function $RF RED SUMDTHRD:1 SUM:6 / ! !Coefficients $CF 1.0 638.8 1.5149 0. 0 !Reducing parameters for eta, T, rho 0.773488 0. 0. 0. 0 !Dilute gas terms -1.53641 1. 0. 0. 0 19.9976 2. 0. 0. 0 -7.58148 3. 0. 0. 0 2.15143 4. 0. 0. 0 -0.261065 5. 0. 0. 0 0.313626 0. 0. 0. 0 1.0 1. 0. 0. 0 !Residual function 1.0 638.8 1.5149 0. 0 !Reducing parameters for eta, T, rho 256.66394 0.5 2. 0. 0 10.351826 0. 0. 0. 0 6.4977736 1. 0. 0. 0 1.0 0. 2. 0. 0 1.0 2. 0. 0. 0 -1.968383 1. 1. 0. 0 -6.4530492 0. 1. 0. 0 NUL !Pointer to the viscosity critical enhancement auxiliary function (none used) ================================================================================ #TCX !---Thermal conductivity--- TC1 !Pure fluid thermal conductivity model for undecane of Assael et al. (2017). :DOI: 10.1063/1.4996885 ? ?``````````````````````````````````````````````````````````````````````````````` ?Assael, M.J., Papalas, T.B., and Huber, M.L., ? "Reference Correlations for the Viscosity and Thermal Conductivity of n-Undecane," ? J. Phys. Chem. Ref. Data, 46(3), 033103, 2017. doi: 10.1063/1.4996885 ? ?The estimated uncertainty at a 95% confidence level is 3% for the thermal conductivity of ? low-density gas (pressures below 0.5 MPa), and 3% for the thermal conductivity of the ? liquid over the temperature range from 284 K to 677 K at pressures up to 400 MPa. ? !``````````````````````````````````````````````````````````````````````````````` 247.606 !Lower temperature limit [K] 700.0 !Upper temperature limit [K] 500000.0 !Upper pressure limit [kPa] 4.97 !Maximum density [mol/L] 6 3 !# terms for dilute gas function: numerator, denominator 638.8 0.001 !Reducing parameters for T, tcx -37.3793 0. 767.377 1. -3043.34 2. 9056.43 3. -5922.11 4. 1527.46 5. 27.743 0. 27.1621 1. 1.0 2. 10 0 !# terms for background gas function: numerator, denominator 638.8 1.5149 1. !Reducing parameters for T, rho, tcx -0.0573413 0. 1. 0. 0.0815949 0. 2. 0. -0.0354049 0. 3. 0. 0.00831716 0. 4. 0. -0.000723814 0. 5. 0. 0.0646731 1. 1. 0. -0.0443965 1. 2. 0. 0.00153679 1. 3. 0. 0.00320177 1. 4. 0. -0.000308355 1. 5. 0. TK3 !Pointer to critical enhancement auxiliary function #AUX !---Auxiliary function for the thermal conductivity critical enhancement TK3 !Simplified thermal conductivity critical enhancement for undecane 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) 0.267e-9 !Xi0 (amplitude) [m] 0.059 !Gam0 (amplitude) [-] 0.866e-9 !Qd_inverse (modified effective cutoff parameter) [m] 958.2 !Tref (reference temperature)=1.5*Tc [K] ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ @TRN !---ECS Transport--- ECS !Extended Corresponding States model (C12 reference); fit to experimental data for undecane. ? ?``````````````````````````````````````````````````````````````````````````````` ?Unpublished; uses method described in the following reference: ?Huber, M.L., Laesecke, A., and Perkins, R.A. ? "Model for the Viscosity and Thermal Conductivity of Refrigerants, Including ? a New Correlation for the Viscosity of R134a," ? Ind. Eng. Chem. Res., 42(13):3163-3178, 2003. doi: 10.1021/ie0300880 ? ?The estimated uncertainty of the viscosity correlation in the liquid phase ? over the temperature range 290 K to 333 K is 1% at pressures to 60 MPa, ? rising to 5% at higher temperatures and pressures. ? The estimated uncertainty for the viscosity of the gas phase is 10%. ? ?The estimated uncertainty of the thermal conductivity correlation in the liquid ? phase is 4% at pressures to 50 MPa, and also 4% in the gas phase. ? ?The Lennard-Jones parameters were estimated with the method of Riesco and Vesovic (2016). ? !``````````````````````````````````````````````````````````````````````````````` 247.606 !Lower temperature limit [K] 800.0 !Upper temperature limit [K] 100000.0 !Upper pressure limit [kPa] 10.0 !Maximum density [mol/L] FEQ C12.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) 0.7815 !Lennard-Jones coefficient sigma [nm] for ECS method 445.75 !Lennard-Jones coefficient epsilon/kappa [K] for ECS method 2 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2 6.75669e-4 0. 0. 0. !Coefficient, power of T, spare1, spare2 1.04759e-6 1. 0. 0. !Coefficient, power of T, spare1, spare2 3 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2 1.1063 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare -0.0733694 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare 0.0126668 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 1.00121 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare -0.00639384 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare TK3 !Pointer to critical enhancement auxiliary function ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ #STN !---Surface tension--- ST1 !Surface tension model for undecane 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 638.8 !Critical temperature used in fit (dummy) 0.0556 1.32 !Sigma0 and n #PS !---Vapor pressure--- PS5 !Vapor pressure equation for undecane 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. ! 638.8 1990.4 !Reducing parameters 4 0 0 0 0 0 !Number of terms in equation -9.3961 1.0 4.4531 1.5 -5.2658 2.2 -4.7352 4.5 #DL !---Saturated liquid density--- DL1 !Saturated liquid density equation for undecane 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. ! 638.8 1.5149 !Reducing parameters 5 0 0 0 0 0 !Number of terms in equation 4.5273 0.46 -7.5714 0.84 13.920 1.25 -13.464 1.7 5.8411 2.2 #DV !---Saturated vapor density--- DV3 !Saturated vapor density equation for undecane 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. ! 638.8 1.5149 !Reducing parameters 5 0 0 0 0 0 !Number of terms in equation -4.3093 0.466 -3.4358 1.02 -17.473 2.4 -58.573 5.3 -133.83 11.4 @END c 1 2 3 4 5 6 7 8 c2345678901234567890123456789012345678901234567890123456789012345678901234567890