Propylcyclohexane !Short name 1678-92-8 !CAS number n-Propylcyclohexane !Full name (C6H11)CH2CH2CH3 !Chemical formula {C9H18} Propylcyclohexane !Synonym 126.23922 !Molar mass [g/mol] 178.2 !Triple point temperature [K] 429.856 !Normal boiling point [K] 630.8 !Critical temperature [K] 2860.0 !Critical pressure [kPa] 2.06 !Critical density [mol/L] 0.326 !Acentric factor 0.0 !Dipole moment [Debye]; ab-initio calculations from HF 6-31G* NBP !Default reference state 10.0 !Version number ???? !UN Number :UN: naphthene !Family :Family: 5920.769 !Heating value (upper) [kJ/mol] :Heat: 1S/C9H18/c1-2-6-9-7-4-3-5-8-9/h9H,2-8H2,1H3 :InChi: !Standard InChI String DEDZSLCZHWTGOR-UHFFFAOYSA-N !Standard InChI Key :InChiKey: f174a9b0 (octane) !Alternative fluid for mixing rules :AltID: 206f01b0 !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 ! 09-10-07 EWL, Original version. ! 10-08-09 MLH, Add transport equation. make viscosity preliminary pending high pressure data. ! 11-03-09 MLH, Add Planck Einstein Cp0. ! 09-01-10 EWL, Add ancillary equations. ! 04-06-13 EWL, Add dipole moment. ! 04-17-14 EWL, Add surface tension coefficients of Mulero et al. (2014). ! 11-21-17 MLH, Revised viscosity. ________________________________________________________________________________ #EOS !---Equation of state--- FEQ !Helmholtz equation of state for propylcyclohexane of Lemmon (2007). :TRUECRITICALPOINT: 630.8 2.06 !True EOS critical point [K, mol/L] (where dP/dD=0 and d^2P/dD^2=0 at constant T) :DOI: ? ?``````````````````````````````````````````````````````````````````````````````` ?Lemmon, E.W., unpublished equation, 2007. ? !``````````````````````````````````````````````````````````````````````````````` 178.2 !Lower temperature limit [K] 650.0 !Upper temperature limit [K] 50000.0 !Upper pressure limit [kPa] 7.03 !Maximum density [mol/L] CPP !Pointer to Cp0 model 126.23922 !Molar mass [g/mol] 178.2 !Triple point temperature [K] 0.0000007179 !Pressure at triple point [kPa] 7.03 !Density at triple point [mol/L] 429.856 !Normal boiling point temperature [K] 0.326 !Acentric factor 630.8 2860.0 2.06 !Tc [K], pc [kPa], rhoc [mol/L] 630.8 2.06 !Reducing parameters [K, mol/L] 8.314472 !Gas constant [J/mol-K] 11 4 0 0 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms 1.01911 0.2 1. 0. !a(i),t(i),d(i),l(i) -2.59762 1.2 1. 0. 0.675152 1.8 1. 0. -0.230891 1.5 2. 0. 0.120966 0.3 3. 0. 3.09038e-4 0.9 7. 0. 0.526461 1.4 2. 1. -0.0188462 2.2 5. 1. -0.549272 3.7 1. 2. -0.139233 4.2 4. 2. 0.121242 2.4 1. 1. #AUX !---Auxiliary function for Cp0 CPP !Ideal gas heat capacity function for propylcyclohexane of Lemmon (2007). ? ?``````````````````````````````````````````````````````````````````````````````` ?ThermoData Engine (TRC, NIST). ? !``````````````````````````````````````````````````````````````````````````````` 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 9.29427 0.385871 1.37051 173295. 106.426 561.14 313.713 1919.52 #AUX !---Auxiliary function for PX0 PX0 !Helmholtz energy ideal-gas function for propylcyclohexane of Lemmon (2007). ? ?``````````````````````````````````````````````````````````````````````````````` ?ThermoData Engine (TRC, NIST). ? !``````````````````````````````````````````````````````````````````````````````` 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 36.0099894104630494 0.0 !aj, ti for [ai*tau**ti] terms -4.1649997963208678 1.0 !aj, ti for [ai*tau**ti] terms 1.1178441201916689 -0.385871 0.164834521179596 173295.0 12.8001099963223108 561.14 37.731014106292271 1919.52 ================================================================================ #TCX !---Thermal conductivity--- TC1 !Pure fluid thermal conductivity model for propylcyclohexane of Perkins et al. (2008). :DOI: 10.1021/je800255r ? ?``````````````````````````````````````````````````````````````````````````````` ?Perkins, R.A., Hammerschmidt, U., and Huber, M.L., ? "Measurement and Correlation of the Thermal Conductivity of Methylcyclohexane ? and Propylcyclohexane from 300 K to 600 K at Pressures to 60 MPa," ? J. Chem. Eng. Data, 53(9):2120-2127, 2008. doi: 10.1021/je800255r ? ?Liquid and vapor phases from 300 K to 604 K at pressures up to ? 60 MPa are represented to within 4% at a 95% confidence level. ? !``````````````````````````````````````````````````````````````````````````````` 178.2 !Lower temperature limit [K] 700. !Upper temperature limit [K] 100000. !Upper pressure limit [kPa] 10.0 !Maximum density [mol/L] 4 0 !# terms for dilute gas function: numerator, denominator 630.8 1. !Reducing parameters for T, tcx; poly fit to Chung estimation 0.0107402 0. !Coefficient, power in T -0.0609829 1. 0.138204 2. -0.0381213 3. 10 0 !# terms for background gas function: numerator, denominator 630.8 2.06 1. !Reducing parameters for T, rho, tcx 0.116524 0. 1. 0. -0.102821 1. 1. 0. -0.113871 0. 2. 0. 0.126431 1. 2. 0. 0.0445827 0. 3. 0. -0.05946 1. 3. 0. -0.00545736 0. 4. 0. 0.0098936 1. 4. 0. 0.0 0. 5. 0. 0.0 1. 5. 0. TK3 !Pointer to critical enhancement auxiliary function ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ @TRN !---ECS Transport--- ECS !Extended Corresponding States model (Propane reference); fitted to limited data. :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 ? The ECS parameters for viscosity were based on limited data from: ? Geist, J.M. and Cannon,M.R. Ind. Eng. Chem. Anal. Ed., 1946, 18, 611; ? Koelbel, H., Siemes, W., Luther, H.,Brennst.-Chem., 1949, 30, 362-371 ? Knothe, G., Steidley, K. R., Fuel, 2005, 84, 1059-1065 ? High pressure data unavailable ? Estimated uncertainty 10% ? ?THERMAL CONDUCTIVITY ? The ECS parameters for thermal conductivty are predictive only. ? Estimated uncertainty 10% ? ?The Lennard-Jones parameters were estimated with the method of Chung. ? !``````````````````````````````````````````````````````````````````````````````` 178.2 !Lower temperature limit [K] 700.0 !Upper temperature limit [K] 50000.0 !Upper pressure limit [kPa] 10.0 !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) 0.6358 !Lennard-Jones coefficient sigma [nm] for ECS method 500.91 !Lennard-Jones coefficient epsilon/kappa [K] for ECS method 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 1.85997 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare -0.587812 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare 0.103092 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 1.0 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 propylcyclohexane 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) 1.2415 !Gamma (universal exponent) 1.01 !R0 (universal amplitude) 0.065 !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) 0.15e-9 !Xi0 (amplitude) [m] 0.052 !Gam0 (amplitude) [-] 6.24e-10 !Qd_inverse (modified effective cutoff parameter) [m]; number for mcc6 from fit 958.725 !Tref (reference temperature)=1.5*Tc [K] ******************************************************************************** @ETA !---Viscosity--- VS4 !Pure fluid generalized friction theory viscosity model for propylcyclohexane of Quinones-Cisneros and Deiters (2006). ? ?``````````````````````````````````````````````````````````````````````````````` ?(10-13-07 regression) uses functional form described in ? Quinones-Cisneros, S.E. and Deiters, U.K., ? "Generalization of the Friction Theory for Viscosity Modeling," ? J. Phys. Chem. B 2006, 110,12820-12834. ? ?Estimated uncertainty 3 % for liquid at 273-373 K at atmospheric pressure, ? approximately 15-20 % otherwise. Based on extremely limited data. ? !``````````````````````````````````````````````````````````````````````````````` 178.2 !Lower temperature limit [K] 700.0 !Upper temperature limit [K] 100000.0 !Upper pressure limit [kPa] 10.0 !Maximum density [mol/L] 5 0 0 0 0 0 !Number of terms associated with dilute-gas function NUL !Pointer to reduced effective collision cross-section model; not used 0.6321 !Lennard-Jones coefficient sigma [nm] for ECS method 507.54 !Lennard-Jones coefficient epsilon/kappa [K] for ECS method 630.8 1.0 !Reducing parameters for T, eta 0.0 0.5 !Chapman-Enskog term; not used here 52.8175 0.0 -170.572 0.25 171.218 0.50 -40.2745 0.75 0 !Number of terms for initial density dependence -0.000132691 0.0 0.469322e-6 0. 0. ! a(0),a(1),a(2) -0.000121616 0.157511e-4 0.487973e-6 0. 0. ! b(0),b(1),b(2) 0.00160622 -0.000500143 0.0 0. 0. ! c(0),c(1),c(2) -0.158302e-7 0.2238e-9 0.0 0. 0. ! A(0),A(1),A(2) 0.252822e-7 0.0 0.0 0. 0. ! B(0),B(1),B(2) 0.0 0.0 0.0 0. 0. ! C(0),C(1),C(2) 0.0 0.0 0.0 0. 0. ! D(0),D(1),D(2) 0.0 0.0 0.0 0. 0. ! E(0),E(1),E(2) NUL !Pointer to the viscosity critical enhancement auxiliary function (none used) ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ #STN !---Surface tension--- ST1 !Surface tension model for propylcyclohexane 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 630.8 !Critical temperature used in fit (dummy) 0.055 1.17 !Sigma0 and n #PS !---Vapor pressure--- PS5 !Vapor pressure equation for propylcyclohexane of Lemmon (2010). ? ?``````````````````````````````````````````````````````````````````````````````` ?Lemmon, E.W., 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. ! 630.8 2860.0 !Reducing parameters 5 0 0 0 0 0 !Number of terms in equation -7.6296 1.0 1.6538 1.5 -2.8518 2.7 -2.8205 4.7 -2.8144 15.0 #DL !---Saturated liquid density--- DL1 !Saturated liquid density equation for propylcyclohexane of Lemmon (2010). ? ?``````````````````````````````````````````````````````````````````````````````` ?Lemmon, E.W., 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. ! 630.8 2.06 !Reducing parameters 5 0 0 0 0 0 !Number of terms in equation 0.039271 0.1 38.257 0.75 -65.743 0.87 30.332 1.0 0.17224 5.0 #DV !---Saturated vapor density--- DV3 !Saturated vapor density equation for propylcyclohexane of Lemmon (2010). ? ?``````````````````````````````````````````````````````````````````````````````` ?Lemmon, E.W., 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. ! 630.8 2.06 !Reducing parameters 5 0 0 0 0 0 !Number of terms in equation -6.4572 0.6 9.1228 1.8 -25.806 2.2 -59.044 6.0 -147.09 14.0 @END c 1 2 3 4 5 6 7 8 c2345678901234567890123456789012345678901234567890123456789012345678901234567890