Cyclopropane !Short name 75-19-4 !CAS number Cyclopropane !Full name cyclo-C3H6 !Chemical formula {C3H6} Trimethylene !Synonym 42.081 !Molar mass [g/mol] 145.7 !Triple point temperature [K]; Reid, Prausnitz, & Poling, McGraw-Hill (1987) 241.67 !Normal boiling point [K] 398.3 !Critical temperature [K] 5579.7 !Critical pressure [kPa] 6.1429 !Critical density [mol/L] 0.1305 !Acentric factor 0.0 !Dipole moment [Debye]; (exactly zero due to symmetry) IIR !Default reference state 10.0 !Version number 1027 !UN Number :UN: naphthene !Family :Family: 2091.33 !Heating value (upper) [kJ/mol] :Heat: 1S/C3H6/c1-2-3-1/h1-3H2 !Standard InChI String :InChi: LVZWSLJZHVFIQJ-UHFFFAOYSA-N !Standard InChI Key :InChiKey: 70c6aac0 (propane) !Alternative fluid for mixing rules :AltID: bc9f5400 !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 ! 11-13-98 EWL, Original version. ! 06-21-10 CKL, Add ancillary equations. ! 07-06-10 MLH, Add predictive transport. ! 04-17-14 EWL, Add surface tension coefficients of Mulero et al. (2014). ! 12-12-14 EWL, Add Cp0 equation of Thol (2013). ! 02-12-17 MLH, Modify ECS transport. ________________________________________________________________________________ #EOS !---Equation of state--- FEQ !Helmholtz equation of state for cyclopropane of Polt et al. (1992). :TRUECRITICALPOINT: 398.691 6.116215 !True EOS critical point [K, mol/L] (where dP/dD=0 and d^2P/dD^2=0 at constant T) :DOI: ? ?``````````````````````````````````````````````````````````````````````````````` ?Polt, A., Platzer, B., and Maurer, G., ? "Parameter der Thermischen Zustandsgleichung von Bender fuer 14 ? Mehratomige Reine Stoffe," ? Chem. Tech. (Leipzig), 44(6):216-224, 1992. ? ?The estimated uncertainties are 1% in density, 2% in vapor pressure, and 5% in ? heat capacities. ? !``````````````````````````````````````````````````````````````````````````````` 273. !Lower temperature limit [K] 473.0 !Upper temperature limit [K] 28000.0 !Upper pressure limit [kPa] 15.6 !Maximum density [mol/L] CPP !Pointer to Cp0 model 42.081 !Molar mass [g/mol] 145.7 !Triple point temperature [K] 0.07 !Pressure at triple point [kPa] (pure extrapolation from EOS, not experimental) 19.5 !Density at triple point [mol/L] 241.670 !Normal boiling point temperature [K] 0.1305 !Acentric factor 398.3 5579.7 6.1429149 !Tc [K], pc [kPa], rhoc [mol/L] 398.3 6.1429149 !Reducing parameters [K, mol/L] 8.3143 !Gas constant [J/mol-K] 22 4 0 0 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms -1.37016097588 3.0 0. 0. !a(i),t(i),d(i),l(i) 2.12444673002 4.0 0. 0. -0.578908942724 5.0 0. 0. -1.15633726379 0.0 1. 0. 2.52574014413 1.0 1. 0. -2.82265442929 2.0 1. 0. 0.283576113255 3.0 1. 0. -0.0842718450726 4.0 1. 0. 0.931086305879 0.0 2. 0. -1.05296584292 1.0 2. 0. 0.432020532920 2.0 2. 0. -0.251108254803 0.0 3. 0. 0.127725582443 1.0 3. 0. 0.0483621161849 0.0 4. 0. -0.0116473795607 1.0 4. 0. 0.000334005754773 1.0 5. 0. 1.37016097588 3.0 0. 2. -2.12444673002 4.0 0. 2. 0.578908942724 5.0 0. 2. 0.304945770499 3.0 2. 2. -0.184276165165 4.0 2. 2. -0.292111460397 5.0 2. 2. #AUX !---Auxiliary function for Cp0 CPP !Ideal gas heat capacity function for cyclopropane of Polt et al. (1992). ? ?``````````````````````````````````````````````````````````````````````````````` ?Thol, M., 2013. ? ?This Cp0 equation uses Einstein-Gaussian terms and gives better extrapolation ? at high temperatures than the Polt et al. equation. In the range of the EOS, ? deviations are less than 1% from the Polt equation. The new equation was ? fitted to the data of: ? Burcat, A., "Ideal Gas Thermodymic Properties of C3 Cycle Compounds," ? TAE Report, 476, 1982. ? !``````````````````````````````````````````````````````````````````````````````` 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 6.096 4380.0 6.262 1180.0 8.638 1810.0 #AUX !---Auxiliary function for PX0 PX0 !Helmholtz energy ideal-gas function for cyclopropane of Polt et al. (1992). ? ?``````````````````````````````````````````````````````````````````````````````` ?Thol, M., 2013. ? !``````````````````````````````````````````````````````````````````````````````` 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 -7.346431336306658 0.0 !aj, ti for [ai*tau**ti] terms 5.3030265687291829 1.0 !aj, ti for [ai*tau**ti] terms 6.096 4380.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms 6.262 1180.0 8.638 1810.0 @AUX !---Auxiliary function for Cp0 CP1 !Ideal gas heat capacity function for cyclopropane. ? ?``````````````````````````````````````````````````````````````````````````````` ?Polt, A., Platzer, B., and Maurer, G., ? "Parameter der thermischen Zustandsgleichung von Bender fuer 14 ? mehratomige reine Stoffe," ? Chem. Tech. (Leipzig), 44(6):216-224, 1992. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1.0 42.081 !Reducing parameters for T, Cp0 5 0 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh 1.26016 0.0 -0.00905307 1.0 0.0000505504 2.0 -0.772237e-7 3.0 0.40538e-10 4.0 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ #TRN !---ECS Transport--- ECS !Extended Corresponding States model (C3 reference); predictive mode for cyclopropane. :DOI: 10.6028/NIST.IR.8209 ? ?``````````````````````````````````````````````````````````````````````````````` ?*** ESTIMATION METHOD *** NOT STANDARD REFERENCE QUALITY *** ?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 ? ?Experimental data unavailable. ? ?Estimated uncertainty for viscosity: gas phase 5%, liquid phase 30%. ? Estimated uncertainty for thermal conductivity: gas phase 5%, liquid phase 20%. ? ?The Lennard-Jones parameters were estimated with the method of Chung. ? !``````````````````````````````````````````````````````````````````````````````` 273.0 !Lower temperature limit [K] 473.0 !Upper temperature limit [K] 28000.0 !Upper pressure limit [kPa] 15.6 !Maximum density [mol/L] FEQ PROPANE.FLD VS1 !Model for reference fluid viscosity TC1 !Model for reference fluid thermal conductivity BIG !Large molecule identifier 0.95 0. 0. 0. !Large molecule parameters 1 !Lennard-Jones flag (0 or 1) (0 => use estimates) 0.442 !Lennard-Jones coefficient sigma [nm] =0.809vc*(1/3)A 316.29 !Lennard-Jones coefficient epsilon/kappa [K] =Tc/1.2593 1 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2 0.00122 0. 0. 0. !Coefficient, power of T, spare1, spare2 1 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2 1.0 0. 0. 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 cyclopropane 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) 0.191e-9 !Xi0 (amplitude) [m] 0.057 !Gam0 (amplitude) [-] 0.534e-9 !Qd_inverse (modified effective cutoff parameter) [m] 597.45 !Tref (reference temperature) [K] ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ #STN !---Surface tension--- ST1 !Surface tension model for cyclopropane 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 398.3 !Critical temperature used in fit (dummy) 0.06812 1.314 !Sigma0 and n #PS !---Vapor pressure--- PS5 !Vapor pressure equation for cyclopropane of Lemmon (2010). ? ?``````````````````````````````````````````````````````````````````````````````` ?Lemmon, C.K. and 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. ! 398.3 5579.7 !Reducing parameters 5 0 0 0 0 0 !Number of terms in equation -7.3438 1.0 17.584 1.5 -34.265 1.71 20.155 1.95 -7.7259 4.0 #DL !---Saturated liquid density--- DL1 !Saturated liquid density equation for cyclopropane of Lemmon (2010). ? ?``````````````````````````````````````````````````````````````````````````````` ?Lemmon, C.K. and 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. ! 398.3 6.1429149 !Reducing parameters 4 0 0 0 0 0 !Number of terms in equation 0.16998 0.11 3.5101 0.5 -2.7092 0.8 1.7644 1.1 #DV !---Saturated vapor density--- DV3 !Saturated vapor density equation for cyclopropane of Lemmon (2010). ? ?``````````````````````````````````````````````````````````````````````````````` ?Lemmon, C.K. and 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. ! 398.3 6.1429149 !Reducing parameters 6 0 0 0 0 0 !Number of terms in equation -0.33232 0.1 -29.566 0.87 57.762 1.14 -142.21 1.78 325.73 2.32 -244.39 2.6 @END c 1 2 3 4 5 6 7 8 c2345678901234567890123456789012345678901234567890123456789012345678901234567890 0.4807 !Lennard-Jones coefficient sigma [nm] for ECS method 248.9 !Lennard-Jones coefficient epsilon/kappa [K] for ECS method