Acetone !Short name 67-64-1 !CAS number Propanone !Full name (CH3)2CO !Chemical formula {C3H6O} Dimethyl ketone !Synonym 58.07914 !Molar mass [g/mol] 178.5 !Triple point temperature [K] 329.22 !Normal boiling point [K] 508.1 !Critical temperature [K] 4692.4 !Critical pressure [kPa] 4.7 !Critical density [mol/L] 0.3071 !Acentric factor 2.88 !Dipole moment [Debye]; R.D. Nelson, D.R. Lide, and A.A. Maryott, "Selected Values of Electric Dipole Moments for Molecules in the Gas Phase," NSRDS-NBS 10, National Reference Data Series, US Government Printing Office, Washington, 1967 NBP !Default reference state 10.0 !Version number 1090 !UN Number :UN: other !Family :Family: ???? !Heating value (upper) [kJ/mol] :Heat: 0.5 !GWP (IPCC 2007) :GWP: 1S/C3H6O/c1-3(2)4/h1-2H3 !Standard InChI String :InChi: CSCPPACGZOOCGX-UHFFFAOYSA-N !Standard InChI Key :InChiKey: ???? !Alternative fluid for mixing rules :AltID: 342481e0 !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 ! 02-12-04 EWL, Original version. ! 04-21-04 AHH, Add dipole moment. ! 06-10-10 CKL, Add ancillary equations. ! 07-02-10 MLH, Add preliminary transport. ! 12-06-12 EWL, Add surface tension coefficients of Mulero et al. (2012). ! 07-14-15 EWL, Change critical pressure slightly to more accurate represent the calculated value at Tc and rhoc. ! 05-03-16 MLH, Revise transport. ! 02-15-17 MLH, Revise uncertainty estimates and range of applicability for ECS transport. ________________________________________________________________________________ #EOS !---Equation of state--- FEQ !Helmholtz equation of state for acetone of Lemmon and Span (2006). :TRUECRITICALPOINT: 508.1 4.7 !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 the saturated ? liquid density between 280 and 310 K, 0.5% in density in the liquid phase ? below 380 K, and 1% in density elsewhere, including all states at ? pressures above 100 MPa. The uncertainties in vapor pressure are 0.5% ? above 270 K (0.25% between 290 and 390 K), and the uncertainties in heat ? capacities and speeds of sound are 1%. The uncertainties in caloric ? properties and sound speeds may be higher at pressures above the ? saturation pressure and at temperatures above 320 K in the liquid phase ? and at supercritical conditions. ? !``````````````````````````````````````````````````````````````````````````````` 178.5 !Lower temperature limit [K] 550.0 !Upper temperature limit [K] 700000.0 !Upper pressure limit [kPa] 15.73 !Maximum density [mol/L] CPP !Pointer to Cp0 model 58.07914 !Molar mass [g/mol] 178.5 !Triple point temperature [K] 0.002326 !Pressure at triple point [kPa] 15.72 !Density at triple point [mol/L] 329.22 !Normal boiling point temperature [K] 0.3071 !Acentric factor 508.1 4692.4 4.7 !Tc [K], pc [kPa], rhoc [mol/L] 508.1 4.7 !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 0.90041 0.25 1. 0. !a(i),t(i),d(i),l(i) -2.1267 1.25 1. 0. -0.083409 1.5 1. 0. 0.065683 0.25 3. 0. 0.00016527 0.875 7. 0. -0.039663 2.375 1. 1. 0.72085 2.0 2. 1. 0.0092318 2.125 5. 1. -0.17217 3.5 1. 2. -0.14961 6.5 1. 2. -0.076124 4.75 4. 2. -0.018166 12.5 2. 3. #AUX !---Auxiliary function for Cp0 CPP !Ideal gas heat capacity function for acetone 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 3 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh 4.0 0.0 3.7072 310.0 7.0675 3480.0 11.012 1576.0 #AUX !---Auxiliary function for PX0 PX0 !Helmholtz energy ideal-gas function for acetone of Lemmon and Span (2006). ? ?``````````````````````````````````````````````````````````````````````````````` ?Lemmon, E.W. and Span, R., 2006. ? !``````````````````````````````````````````````````````````````````````````````` 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 0.3015070258580721 0.0 !aj, ti for [ai*tau**ti] terms 2.7317365462703083 1.0 !aj, ti for [ai*tau**ti] terms 3.7072 310.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms 7.0675 3480.0 11.012 1576.0 #AUX !---Auxiliary function for PH0 PH0 !Ideal gas Helmholtz form for acetone. ? ?``````````````````````````````````````````````````````````````````````````````` ?Lemmon, E.W. and Span, R., 2006. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1 2 3 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau)); cosh; sinh 3.0 1.0 !ai, ti for [ai*log(tau**ti)] terms -9.4883659997 0.0 !aj, ti for [ai*tau**ti] terms 7.1422719708 1.0 3.7072 -0.6101161189 !aj, ti for [ai*log(1-exp(ti*tau)] terms 7.0675 -6.8490454635 11.012 -3.1017516237 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ #TRN !---ECS Transport--- ECS !Extended Corresponding States model (Propane reference) for acetone. :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 liquid phase along saturation is 5%, up to 15% at 100 MPa. ? Estimated uncertainty in the gas phase is 5%. ? ?THERMAL CONDUCTIVITY ? Estimated uncertainty in the liquid phase along saturation is 5%. No data at higher pressures is available, uncertainties at 100 MPa may reach 20%. ? Estimated uncertainty in the gas phase is 5%. ? ?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 ? !``````````````````````````````````````````````````````````````````````````````` 178.5 !Lower temperature limit [K] 550.0 !Upper temperature limit [K] 100000.0 !Upper pressure limit [kPa] 15.73 !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) 0.4669 !Lennard-Jones coefficient sigma [nm] 519.0 !Lennard-Jones coefficient epsilon/kappa [K] for ECS method 2 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2 0.000954299 0. 0. 0. !Coefficient, power of T, spare1, spare2 0.522303e-6 1. 0. 0. !Coefficient, power of T, spare1, spare2 3 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2 1.25183 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare -0.239533 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare 0.0485815 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 1.08482 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare -0.0313081 0. 1. 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 acetone 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) 0.196e-9 !Xi0 (amplitude) [m] 0.052 !Gam0 (amplitude) [-] 0.586e-9 !Qd_inverse (modified effective cutoff parameter) [m] 762.15 !Tref (reference temperature)=1.5*Tc [K] ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ #STN !---Surface tension--- ST1 !Surface tension model for acetone 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 508.1 !Critical temperature used in fit (dummy) 0.0633 1.16 !Sigma0 and n #PS !---Vapor pressure--- PS5 !Vapor pressure equation for acetone 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. ! 508.1 4692.4 !Reducing parameters 5 0 0 0 0 0 !Number of terms in equation -7.6214 1.0 1.7441 1.5 -2.0514 2.57 -2.6644 4.43 -0.69437 15.0 #DL !---Saturated liquid density--- DL1 !Saturated liquid density equation for acetone 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. ! 508.1 4.7 !Reducing parameters 5 0 0 0 0 0 !Number of terms in equation 11.118 0.456 -29.507 0.626 35.255 0.8 -14.712 1.0 0.95560 2.47 #DV !---Saturated vapor density--- DV3 !Saturated vapor density equation for acetone 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. ! 508.1 4.7 !Reducing parameters 6 0 0 0 0 0 !Number of terms in equation -2.52 0.36 -6.6065 1.05 -25.751 3.2 7.8120 4.0 -53.778 6.5 -116.84 14.0 @END c 1 2 3 4 5 6 7 8 c2345678901234567890123456789012345678901234567890123456789012345678901234567890