Dimethyl carbonate !Short name 616-38-6 !CAS number Dimethyl ester carbonic acid !Full name C3H6O3 !Chemical formula {C3H6O3} DMC !Synonym 90.0779 !Molar mass [g/mol] 277.06 !Triple point temperature [K] 363.256 !Normal boiling point [K] 557.0 !Critical temperature [K] 4908.8 !Critical pressure [kPa] 4.0 !Critical density [mol/L] 0.346 !Acentric factor 0.899 !Dipole moment [Debye]; DIPPR DIADEM 2012 NBP !Default reference state 10.0 !Version number 1161 !UN Number :UN: other !Family :Family: ???? !Heating value (upper) [kJ/mol] :Heat: 1S/C3H6O3/c1-5-3(4)6-2/h1-2H3 !Standard InChI String :InChi: IEJIGPNLZYLLBP-UHFFFAOYSA-N !Standard InChI Key :InChiKey: f174a9b0 (octane) !Alternative fluid for mixing rules :AltID: 859e6f80 !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 ! 08-01-08 EWL, Original version. ! 08-23-09 YZ, Fit equation of state. ! 08-25-09 YZ, Add vapor pressure ancillary equation. ! 08-19-10 IDC, Add density ancillary equations. ! 05-16-11 EWL, Add final equation of state of Zhou et al. ! 04-06-13 EWL, Add dipole moment. ! 04-17-14 EWL, Add surface tension coefficients of Mulero et al. (2014). ! 01-21-16 MLH, Revise ECS transport. ________________________________________________________________________________ #EOS !---Equation of state--- FEQ !Helmholtz equation of state for dimethyl carbonate of Zhou et al. (2011). :TRUECRITICALPOINT: 557.0 4.0 !True EOS critical point [K, mol/L] (where dP/dD=0 and d^2P/dD^2=0 at constant T) :DOI: 10.1063/1.3664084 ? ?``````````````````````````````````````````````````````````````````````````````` ?Zhou, Y., Wu, J., and Lemmon, E.W., ? "Thermodynamic Properties of Dimethyl Carbonate," ? J. Phys. Chem. Ref. Data, 40, 043106, 2011. ? ?The uncertainties (k = 2, indicating a level of confidence of 95 %) of the ? equation of state in density are 0.05 % for saturated-liquid states below 350 ? K, rising to 0.1 % in the single phase between 278 K and 400 K at pressures ? up to 60 MPa. Due to the lack of reliable data outside this region, the ? estimated uncertainties increase to 0.5 % to 1 % in the vapor and critical ? regions. The uncertainties in vapor pressure are 0.6 % from 310 K to 400 K, ? and increase to 1 % at higher temperatures and to 2 % at lower temperatures ? due to a lack of experimental data. The uncertainty in isobaric heat ? capacity and speed of sound in the liquid phase at saturation or atmospheric ? pressure is 0.5 % from 280 K to 335 K. The uncertainties are higher for all ? properties in the critical region. ? !``````````````````````````````````````````````````````````````````````````````` 277.06 !Lower temperature limit [K] 600.0 !Upper temperature limit [K] 60000.0 !Upper pressure limit [kPa] 12.112 !Maximum density [mol/L] CPP !Pointer to Cp0 model 90.0779 !Molar mass [g/mol] 277.06 !Triple point temperature [K] 2.2265 !Pressure at triple point [kPa] 12.111 !Density at triple point [mol/L] 363.256 !Normal boiling point temperature [K] 0.346 !Acentric factor 557.0 4908.8 4.0 !Tc [K], pc [kPa], rhoc [mol/L] 557.0 4.0 !Reducing parameters [K, mol/L] 8.314472 !Gas constant [J/mol-K] 12 4 6 12 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms 0.00052683187 1.0 5. 0. !a(i),t(i),d(i),l(i) 1.353396 0.227 1. 0. -2.649283 1.05 1. 0. -0.2785412 1.06 2. 0. 0.1742554 0.5 3. 0. 0.031606252 0.78 4. 0. 0.399866 1.3 1. 1. 1.178144 1.347 2. 1. -0.0235281 0.706 7. 1. -1.015 2.0 1. 2. -0.7880436 2.5 2. 2. -0.12696 4.262 3. 2. 1.2198 1.0 1. 2. 2. -0.9667 -1.240 1.2827 0.6734 0. 0. 0. -0.4883 2.124 1. 2. 2. -1.5154 -0.821 0.4317 0.9239 0. 0. 0. -0.0033293 0.4 2. 2. 2. -1.0591 -15.45 1.1217 0.8636 0. 0. 0. -0.0035387 3.5 2. 2. 2. -1.6642 -2.210 1.1871 1.0507 0. 0. 0. -0.51172 0.5 3. 2. 2. -12.4856 -437.0 1.1243 0.8482 0. 0. 0. -0.16882 2.7 3. 2. 2. -0.9662 -0.743 0.4203 0.7522 0. 0. 0. eta beta gamma epsilon EXP[eta*(delta-epsilon)^2+beta*(tau-gamma)^2] #AUX !---Auxiliary function for Cp0 CPP !Ideal gas heat capacity function for dimethyl carbonate of Zhou et al. (2011). ? ?``````````````````````````````````````````````````````````````````````````````` ?Zhou, Y., Wu, J., and Lemmon, E.W., 2011. ? !``````````````````````````````````````````````````````````````````````````````` 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 9.28421 0.0 1.48525 21.0 0.822585 1340.0 16.2453 1672.0 1.15925 7395.0 #AUX !---Auxiliary function for PX0 PX0 !Helmholtz energy ideal-gas function for dimethyl carbonate of Zhou et al. (2011). ? ?``````````````````````````````````````````````````````````````````````````````` ?Zhou, Y., Wu, J., and Lemmon, E.W., 2011. ? !``````````````````````````````````````````````````````````````````````````````` 1 2 4 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau)) 8.28421 1.0 !ai, ti for [ai*log(tau**ti)] terms 4.9916488482559238 0.0 !aj, ti for [ai*tau**ti] terms -0.1709466916488251 1.0 !aj, ti for [ai*tau**ti] terms 1.48525 21.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms 0.822585 1340.0 16.2453 1672.0 1.15925 7395.0 #AUX !---Auxiliary function for PH0 PH0 !Ideal gas Helmholtz form for dimethyl carbonate. ? ?``````````````````````````````````````````````````````````````````````````````` ?Zhou, Y., Wu, J., and Lemmon, E.W., 2011. ? !``````````````````````````````````````````````````````````````````````````````` 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 8.28421 1.0 !ai, ti for [ai*log(tau**ti)] terms 4.9916462 0.0 !aj, ti for [ai*tau**ti] terms -0.1709449 1.0 1.48525 -0.0377019749 !aj, ti for [ai*log(1-exp(ti*tau)] terms 0.822585 -2.4057450628 16.2453 -3.0017953321 1.15925 -13.276481149 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ #TRN !---ECS Transport--- ECS !Extended Corresponding States model (Propane reference); fit to data for dimethyl carbonate. :DOI: 10.6028/NIST.IR.8209 ? ?``````````````````````````````````````````````````````````````````````````````` ?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 ? ?The uncertainty of the viscosity in the liquid phase is estimated to be 2% for ? saturated liquid from 282-383 K, and up to 4% in the liquid phase at pressures to ? 60 MPa for 293-353 K. Gas phase data unavailable for comparisons, estimated ? uncertainty is 20%. ? ?Estimated uncertainty of thermal conductivity in the liquid phase is 4%. Data ? unavailable for comparisons in the gas phase. ? ?The Lennard-Jones parameters were estimated with the method of Chung. ? !``````````````````````````````````````````````````````````````````````````````` 277.06 !Lower temperature limit [K] 600.0 !Upper temperature limit [K] 60000.0 !Upper pressure limit [kPa] 12.112 !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) 0.510 !Lennard-Jones coefficient sigma [nm] 442.3 !Lennard-Jones coefficient epsilon/kappa [K] 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 2 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2 0.811428 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare 0.0616704 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare 2 0 0 !Number of terms in chi (t.c. shape factor): poly,spare1,spare2 1.12380 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare -0.0154353 0. 1. 0. TK3 !Pointer to critical enhancement auxiliary function #AUX !---Auxiliary function for the thermal conductivity critical enhancement TK3 !Simplified thermal conductivity critical enhancement for dimethyl carbonate 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) 0.204e-9 !Xi0 (amplitude) [m] 0.059 !Gam0 (amplitude) [-] 0.62e-9 !Qd_inverse (modified effective cutoff parameter) [m] 835.5 !Tref (reference temperature) [K] ******************************************************************************** @ETA !---Viscosity--- VS1 !Pure fluid viscosity model for dimethyl carbonate of Zhou and Wu (2012). ? ?``````````````````````````````````````````````````````````````````````````````` ?Zhou, Y. and Wu, J. ? unpublished equation, 2010. ? ?The uncertainties of the transport equations are generally less than 5.0%, with ? smaller uncertainties (as low as 2%) between 260 and 360 K in the liquid phase. ? !``````````````````````````````````````````````````````````````````````````````` 277.06 !Lower temperature limit [K] allow for extrapolation to low T 400.0 !Upper temperature limit [K] 60000.0 !Upper pressure limit [kPa] 12.112 !Maximum density [mol/L] 1 !Number of terms associated with dilute-gas function CI0 !Pointer to reduced effective collision cross-section model 0.510747 !Lennard-Jones coefficient sigma [nm] 442.309 !Lennard-Jones coefficient epsilon/kappa [K] 1.0 1.0 !Reducing parameters for T, eta 0.20555 0.5 !=0.021357*SQRT(MW) [Chapman-Enskog term] 0 !Number of terms for initial density dependence 0 5 0 0 0 0 !# resid terms: close-packed density; simple poly; numerator of rational poly; denominator of rat. poly; numerator of exponential; denominator of exponential 557.376 3.9749 1.0 !Reducing parameters for T, rho, eta 5.07808 -0.1 4. 0. 0 -0.0567340 -3.0968 10. 0. 1 0.00832177 -2.8945 12. 0. 1 35.4598380 0.0731 2. 0. 2 0.05135280 -3.9871 0. 0. 3 NUL !Pointer to the viscosity critical enhancement auxiliary function (none used) ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ #STN !---Surface tension--- ST1 !Surface tension model for dimethyl carbonate 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 557. !Critical temperature used in fit (dummy) 0.0825 1.39 !Sigma0 and n #PS !---Vapor pressure--- PS5 !Vapor pressure equation for dimethyl carbonate 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. ! 557.0 4908.8 !Reducing parameters 4 0 0 0 0 0 !Number of terms in equation -8.3197 1.0 3.4260 1.5 -3.5905 2.3 -3.3194 4.7 #DL !---Saturated liquid density--- DL1 !Saturated liquid density equation for dimethyl carbonate 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. ! 557.0 4.0 !Reducing parameters 6 0 0 0 0 0 !Number of terms in equation 1.1572 0.27 4.9690 0.77 -14.451 1.29 27.569 1.85 -26.223 2.46 10.526 3.16 #DV !---Saturated vapor density--- DV3 !Saturated vapor density equation for dimethyl carbonate 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. ! 557.0 4.0 !Reducing parameters 7 0 0 0 0 0 !Number of terms in equation -0.54715 0.197 -5.19277 0.6 -94.0480 2.86 327.210 3.65 -676.871 4.5 716.072 5.4 -379.799 6.4 @END c 1 2 3 4 5 6 7 8 c2345678901234567890123456789012345678901234567890123456789012345678901234567890 @TRN !Transport model specification ECS Extended Corresponding States model (Propane reference); fitted to data. ? ?``````````````````````````````````````````````````````````````````````````````` ?Zhou, Y. and Wu, J. ? unpublished equation, 2010. ? ?The uncertainties of the transport equations are generally less than 5.0%, with ? smaller uncertainties (as low as 2%) between 260 and 360 K in the liquid phase. ? !``````````````````````````````````````````````````````````````````````````````` 277.06 !Lower temperature limit [K] 400.0 !Upper temperature limit [K] 60000.0 !Upper pressure limit [kPa] 12.112 !Maximum density [mol/L] FEQ R134A.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) 0.510747 !Lennard-Jones coefficient sigma [nm] 442.309 !Lennard-Jones coefficient epsilon/kappa [K] 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 2 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2 0.922569 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare 0.00985955 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare 2 0 0 !Number of terms in chi (t.c. shape factor): poly,spare1,spare2 1.11485 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare -0.0252180 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare TK3 !Pointer to critical enhancement auxiliary function @AUX !---Thermal conductivity critical enhancement model TK3 simplified thermal conductivity critical enhancement of Zhou and Wu (2010). ? ?``````````````````````````````````````````````````````````````````````````````` ?Zhou, Y. and Wu, J. ? unpublished equation, 2010. ? !``````````````````````````````````````````````````````````````````````````````` 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) 1.03 !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) 0.194e-9 !xi0 (amplitude) [m] 0.0496 !gam0 (amplitude) [-] 0.5e-9 !qd_inverse (modified effective cutoff parameter) [m]; fitted to data 835.5 !Tref (reference temperature)=1.5*Tc [K]