Carbonyl sulfide !Short name 463-58-1 !CAS number Carbon oxide sulfide !Full name COS !Chemical formula {COS} Carbon oxysulfide !Synonym 60.0751 !Molar mass [g/mol] 134.3 !Triple point temperature [K] 222.99 !Normal boiling point [K] 378.77 !Critical temperature [K] 6370.0 !Critical pressure [kPa] 7.41 !Critical density [mol/L] 0.0978 !Acentric factor 0.7152 !Dipole moment [Debye]; J.S. Muenter, J. Chem. Phys., 48, 4544 (1968) NBP !Default reference state 10.0 !Version number 2204 !UN Number :UN: other !Family :Family: 548.23 !Heating value (upper) [kJ/mol] :Heat: 1S/COS/c2-1-3 !Standard InChI String :InChi: JJWKPURADFRFRB-UHFFFAOYSA-N !Standard InChI Key :InChiKey: 7b3b4080 (butane) !Alternative fluid for mixing rules :AltID: e7f902e0 !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 ! 08-22-01 EWL, Original version. ! 10-24-02 EWL, Add surface tension fit. ! 01-15-04 EWL, Update equation of state. ! 06-17-10 CKL, Add ancillary equations. ! 12-06-12 EWL, Add surface tension coefficients of Mulero et al. (2012). ! 04-19-16 MLH, Add predictive transport. ! 02-09-17 MLH, Revise transport. ! 02-19-18 MLH, Fixed typo in TK3 block ________________________________________________________________________________ #EOS !---Equation of state--- FEQ !Helmholtz equation of state for carbonyl sulfide of Lemmon and Span (2006). :TRUECRITICALPOINT: 378.77 7.41 !True EOS critical point [K, mol/L] (where dP/dD=0 and d^2P/dD^2=0 at constant T) :DOI: 10.1021/je050186n ? ?``````````````````````````````````````````````````````````````````````````````` ?Lemmon, E.W. and Span, R., ? "Short Fundamental Equations of State for 20 Industrial Fluids," ? J. Chem. Eng. Data, 51(3):785-850, 2006. doi: 10.1021/je050186n ? ?The uncertainties in the equation of state are 0.1% in density in the liquid phase ? below 450 K, 1% in density at temperatures between 450 and 500 K, 3% in ? density at temperatures above 500 K, 1% in density in the vapor phase and ? at supercritical conditions below 10 MPa and 450 K, 0.5% in vapor pressure, ? and 2% in isobaric heat capacity. There are no speed of sound data to ? ascertain its uncertainty. ? !``````````````````````````````````````````````````````````````````````````````` 134.3 !Lower temperature limit [K] 650.0 !Upper temperature limit [K] 50000.0 !Upper pressure limit [kPa] 22.52 !Maximum density [mol/L] CPP !Pointer to Cp0 model 60.0751 !Molar mass [g/mol] 134.3 !Triple point temperature [K] 0.06443 !Pressure at triple point [kPa] 22.5 !Density at triple point [mol/L] 222.99 !Normal boiling point temperature [K] 0.0978 !Acentric factor 378.77 6370.0 7.41 !Tc [K], pc [kPa], rhoc [mol/L] 378.77 7.41 !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 0.94374 0.25 1. 0. !a(i),t(i),d(i),l(i) -2.5348 1.125 1. 0. 0.59058 1.5 1. 0. -0.021488 1.375 2. 0. 0.082083 0.25 3. 0. 0.00024689 0.875 7. 0. 0.21226 0.625 2. 1. -0.041251 1.75 5. 1. -0.22333 3.625 1. 2. -0.050828 3.625 4. 2. -0.028333 14.5 3. 3. 0.016983 12.0 4. 3. #AUX !---Auxiliary function for Cp0 CPP !Ideal gas heat capacity function for carbonyl sulfide of Lemmon and Span (2006). ? ?``````````````````````````````````````````````````````````````````````````````` ?Lemmon, E.W. and Span, R., 2006. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1.0 8.314472 !Reducing parameters for T, Cp0 1 4 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh 3.5 0.0 2.1651 768.0 0.93456 1363.0 1.0623 3175.0 0.34269 12829.0 #AUX !---Auxiliary function for PX0 PX0 !Helmholtz energy ideal-gas function for carbonyl sulfide of Lemmon and Span (2006). ? ?``````````````````````````````````````````````````````````````````````````````` ?Lemmon, E.W. and Span, R., 2006. ? !``````````````````````````````````````````````````````````````````````````````` 1 2 4 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau)) 2.5 1.0 !ai, ti for [ai*log(tau**ti)] terms -3.6587437697006173 0.0 !aj, ti for [ai*tau**ti] terms 3.734923786344587 1.0 !aj, ti for [ai*tau**ti] terms 2.1651 768.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms 0.93456 1363.0 1.0623 3175.0 0.34269 12829.0 #AUX !---Auxiliary function for PH0 PH0 !Ideal gas Helmholtz form for carbonyl sulfide. ? ?``````````````````````````````````````````````````````````````````````````````` ?Lemmon, E.W. and Span, R., 2006. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1 2 4 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau)); cosh; sinh 2.5 1.0 !ai, ti for [ai*log(tau**ti)] terms -3.6587449805 0.0 !aj, ti for [ai*tau**ti] terms 3.7349245016 1.0 2.1651 -2.0276157035 !aj, ti for [ai*log(1-exp(ti*tau)] terms 0.93456 -3.5984898487 1.0623 -8.3823956491 0.34269 -33.8701586715 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ #TRN !---ECS Transport--- ECS !Extended Corresponding States model (Propane reference) fit to extremely limited or predicted data for carbonyl sulfide. :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 ? ?VISCOSITY ?Estimated uncertainty in the gas phase is <10%, based on comparisons with the data of ? Smith, C.J., "On the Viscosity and Molecular Dimentions of Gaseous Carbon Oxysulfide," Philos. Mag., 44, 389-292, 1922. Estimated uncertainty in the liquid phase is <50%, no data are available for comparison, totally predictive values. ? ?THERMAL CONDUCTIVITY ?Estimated uncertainty in the gas phase is difficult to assess due to lack of ? experimental data, estimated to be 25%; predictive values. Estimated uncertainty ? in the liquid phase is difficult to assess due to lack of experimental data, ? estimated to be <50%, predictive values. ? ?The Lennard-Jones parameters were taken from Hirschfelder, J.O., Curtiss, C.F., and Bird, R.B., "Molecular Theory of Gases and Liquids," John Wiley and Sons, Inc., New York, 1245 pp, 1954. doi: 10.1002/pol.1955.120178311 ? !``````````````````````````````````````````````````````````````````````````````` 134.3 !Lower temperature limit [K] 650.0 !Upper temperature limit [K] 50000.0 !Upper pressure limit [kPa] 22.52 !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) 0.413 !Lennard-Jones coefficient sigma [nm] 335.0 !Lennard-Jones coefficient epsilon/kappa [K] 1 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2 0.00125 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 0.95 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 carbonyl sulfide 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) 0.182e-9 !Xi0 (amplitude) [m] 0.056 !Gam0 (amplitude) [-] 0.5e-9 !Qd_inverse (modified effective cutoff parameter) [m] 568.16 !Tref (reference temperature)=1.5*Tc [K] ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ #STN !---Surface tension--- ST1 !Surface tension model for carbonyl sulfide of Mulero et al. (2012). :DOI: 10.1063/1.4768782 ? ?``````````````````````````````````````````````````````````````````````````````` ?Mulero, A., Cachadiņa, I., and Parra, M.I., ? "Recommended Correlations for the Surface Tension of Common Fluids," ? J. Phys. Chem. Ref. Data, 41(4), 043105, 2012. doi: 10.1063/1.4768782 ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1 !Number of terms in surface tension model 378.77 !Critical temperature used in fit (dummy) 0.07246 1.407 !Sigma0 and n #PS !---Vapor pressure--- PS5 !Vapor pressure equation for carbonyl sulfide 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. ! 378.77 6370 !Reducing parameters 4 0 0 0 0 0 !Number of terms in equation -6.7055 1.0 3.4248 1.5 -2.6677 1.78 -2.4717 4.8 #DL !---Saturated liquid density--- DL1 !Saturated liquid density equation for carbonyl sulfide 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. ! 378.77 7.41 !Reducing parameters 5 0 0 0 0 0 !Number of terms in equation 7.6592 0.515 -19.226 0.767 27.883 1.034 -23.637 1.4 9.9803 1.7 #DV !---Saturated vapor density--- DV3 !Saturated vapor density equation for carbonyl sulfide 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. ! 378.77 7.41 !Reducing parameters 6 0 0 0 0 0 !Number of terms in equation -3.2494 0.423 -7.1460 1.464 35.026 5.3 -34.039 4.1 -64.206 7.0 -152.25 17.0 @END c 1 2 3 4 5 6 7 8 c2345678901234567890123456789012345678901234567890123456789012345678901234567890