Dichloroethane !Short name 107-06-2 !CAS number 1,2-Dichloroethane !Full name C2H4Cl2 !Chemical formula {C2H4Cl2} R-150 !Synonym 98.9592 !Molar mass [g/mol] 237.52 !Triple point temperature [K] 356.650 !Normal boiling point [K] 561.6 !Critical temperature [K] 5226.12 !Critical pressure [kPa] 4.33 !Critical density [mol/L] 0.268 !Acentric factor 1.44 !Dipole moment [Debye]; Bloom, G.I.M. and Sutton, L.E., J. Chem. Soc. 1941, 727-742 NBP !Default reference state 10.0 !Version number 1184 !UN Number :UN: halocb !Family :Family: ???? !Heating value (upper) [kJ/mol] :Heat: 1S/C2H4Cl2/c3-1-2-4/h1-2H2 !Standard InChI String :InChi: WSLDOOZREJYCGB-UHFFFAOYSA-N !Standard InChI Key :InChiKey: ???? !Alternative fluid for mixing rules :AltID: 042f81b0 !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 M. Thol, Thermodynamics, Ruhr-Universitaet Bochum, Germany ! 05-20-14 AK, Original version. ! 11-25-15 MLH, Correct CAS number, added preliminary transport. ! 12-06-15 MLH, Add preliminary surface tension. ! 02-02-17 MLH, Revise dilute gas viscosity and ECS models. ! 12-23-17 MLH, Revise ECS models. ________________________________________________________________________________ #EOS !---Equation of state--- FEQ !Helmholtz equation of state for dichloroethane of Thol et al. (2018). :TRUECRITICALPOINT: 561.58 4.33 !True EOS critical point [K, mol/L] (where dP/dD=0 and d^2P/dD^2=0 at constant T) :DOI: ? ?``````````````````````````````````````````````````````````````````````````````` ?Thol, M., Koeste, A., Rutkai, G., Span, R., Wagner, W., and Vrabec, J., ? to be submitted to Mol. Phys., 2018. ? ?Based on the available experimental data, the equation is valid for T = 237.52 K ? to 560 K with pressures up to 100 MPa. The uncertainties in vapour pressures ? calculated with the equation of state are 0.1% for T < 400 K and 4% for higher ? temperatures. Because of the restricted experimental data sets, the ? uncertainties for the saturated liquid and vapour densities are unknown. The ? uncertainty in the homogeneous density is 0.05% for T < 320 K and p < 20 MPa, ? whereas for higher temperatures and pressures the uncertainty increases up to ? 0.5%. The speed of sound can be calculated with an unceratinty of 0.5% at ? atmospheric pressure. The uncertainty of the isobaric heat capacity is 1% in ? the gas phase and 0.2% in the liquid phase. ? !``````````````````````````````````````````````````````````````````````````````` 237.52 !Lower temperature limit [K] 600. !Upper temperature limit [K] 100000. !Upper pressure limit [kPa] 13.45 !Maximum density [mol/L] CPP !Pointer to Cp0 model 98.9592 !Molar mass [g/mol] 237.52 !Triple point temperature [K] 0.240 !Pressure at triple point [kPa] 13.44 !Density at triple point [mol/L] 356.650 !Normal boiling point temperature [K] 0.268 !Acentric factor 561.6 5226.12 4.33 !Tc [K], pc [kPa], rhoc [mol/L] 561.6 4.33 !Reducing parameters [K, mol/L] 8.3144598 !Gas constant [J/mol-K] 10 4 5 12 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms 0.051 1.0 4. 0. !a(i),t(i),d(i),l(i) 1.99 0.352 1. 0. -2.595 0.89 1. 0. -0.6653 0.824 2. 0. 0.23595 0.498 3. 0. -1.7 1.63 1. 2. -0.4453 4.07 3. 2. 0.672474 0.679 2. 1. -0.21918 2.85 2. 2. -0.03554 1.07 7. 1. 0.9765 1.7 1. 2. 2. -0.66 -0.574 0.995 0.571 0. 0. 0. -0.495179 2.09 1. 2. 2. -1.36 -1.8 0.329 0.862 0. 0. 0. -0.23291174 1.93 3. 2. 2. -0.711 -0.462 0.525 0.597 0. 0. 0. -0.01090245 3.72 3. 2. 2. -1.7 -3.22 0.85 1.16 0. 0. 0. 0.39209 1.58 1. 2. 2. -1.11 -2.22 0.585 0.208 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 dichloroethane of Thol et al. (2018). ? ?``````````````````````````````````````````````````````````````````````````````` ?Thol, M., Koeste, A., Rutkai, G., Span, R., Wagner, W., and Vrabec, J., 2018. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1.0 8.3144598 !Reducing parameters for T, Cp0 1 2 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh 4.0 0.0 5.35 22.5 10.05 2015.0 #AUX !---Auxiliary function for PX0 PX0 !Helmholtz energy ideal-gas function for dichloroethane of Thol et al. (2018). ? ?``````````````````````````````````````````````````````````````````````````````` ?Thol, M., Koeste, A., Rutkai, G., Span, R., Wagner, W., and Vrabec, J., 2018. ? !``````````````````````````````````````````````````````````````````````````````` 1 2 2 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 15.9637989386186092 0.0 !aj, ti for [ai*tau**ti] terms 0.97287005313025 1.0 !aj, ti for [ai*tau**ti] terms 5.35 22.5 !aj, ti for [ai*log(1-exp(-ti/T)] terms 10.05 2015.0 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ #TRN !---ECS Transport--- ECS !Extended Corresponding States model (propane reference); fit to limited data for dichloroethane. :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 ? Thorpe, T.E., Rodger, J.W., "Bakerian Lecture. On the Relations between the Viscosity (Internal Friction) of Liquids and their Chemical Nature," Philos. Trans. R. Soc. London, Ser. A, 185:397-710, 1894. ? Batschinski, A.J., "Investigations of the Internal Friction of Fluids," Z. Phys. Chem., 84:643-706, 1913. ? Ni, B., Su, L., Wang, H., Qiu, H., "Thermophysical Properties of the Binary Mixtures of 1,2-Dichloroethane with Chlorobenzene and Bromobenzene from 298.15 to 313.15 K," J. Chem. Eng. Data, 55:4541-4545, 2010. doi: 10.1021/je100552a ? Malhotra, R. et el., "Thermodynamic and Transport Properties of 1,2-Dichloroethane," Int. J. Thermophys., 11:835-861, 1990. ? ?Estimated uncertainty in the gas phase is 5%, 5% in the liquid phase along the saturation boundary and up to 10% in the liquid at pressures to 50 MPa and temperatures above 270 K. ? ?THERMAL CONDUCTIVITY ? Vines, R.G., Bennett, L.A., "The Thermal Conductivity of Organic Vapors. The Relation between Thermal Conductivity and Viscosity and the Significance of the Eucken Factor," J. Chem. Phys., 22:360-366, 1954. ? Mashirov, V.E. and Tarzimanov, A.A., "Thermal Conductivity of Some Vaporous Organic Compounds," Izv. Vyssh. Uchebn. Zaved., Neft Gaz, 17:98-9, 1974. ? Qun-Fang, L., Ruisen, L., Dan-Yan, N., Yu-Chun, H., "Thermal Conductivities of Some Organic Solvents and Their Binary Mixtures," J. Chem. Eng. Data, 42:971-974, 1997. doi: 10.1021/je960351m ? ?Estimated uncertainty is 5% in the gas phase and the liquid phase along the saturation boundary. ? ?The Lennard-Jones parameters were estimated with the method of Chung. ? !``````````````````````````````````````````````````````````````````````````````` 237.52 !Lower temperature limit [K] 600.0 !Upper temperature limit [K] 50000.0 !Upper pressure limit [kPa] 13.45 !Maximum density [mol/L] FEQ PROPANE.FLD VS1 !Model for reference fluid viscosity TC1 !Model for reference fluid thermal conductivity BIG !Large molecule identifier 0.96 0. 0. 0. !Large molecule parameters 1 !Lennard-Jones flag (0 or 1) (0 => use estimates) 0.4963 !Lennard-Jones coefficient sigma [nm] from method Chung 445.96 !Lennard-Jones coefficient epsilon/kappa [K] from Chung method 2 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2 9.18633e-4 0. 0. 0. !Coefficient, power of T, spare1, spare2 coeff from re245cb 7.08996e-7 1. 0. 0. !Coefficient, power of T, spare1, spare2 coeff from re245cb 3 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2 0.766881 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare 0.136995 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare -0.0161687 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 1.35752 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare -0.116398 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 dichloroethane 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) 0.204e-9 !Xi0 (amplitude) [m] 0.056 !Gam0 (amplitude) [-] 6.03e-10 !Qd_inverse (modified effective cutoff parameter) [m]; R125 value 842.40 !Tref (reference temperature)=1.5*Tc [K] ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ #STN !---Surface tension--- ST1 !Surface tension model for dichloroethane of Huber (2018). :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 ? ?Fit to experimental data of: ? Vogel, A.I., "Physical Properties and Chemical Constitution. Part XIV. The Parachors and the Refractivities of the Halogens," ? J. Chem. Soc., 644-654, 1948. doi: 10.1039/JR9480000644 ? ?Estimated uncertainty is 5%. ? !``````````````````````````````````````````````````````````````````````````````` 0. ! 10000. ! 0. ! 0. ! 1 !Number of terms in surface tension model 561.6 !Critical temperature used in fit (dummy) 0.0785663 1.19315 !Sigma0 and n #PS !---Vapor pressure--- PS5 !Vapor pressure equation for dichloroethane of Thol et al. (2018). ? ?``````````````````````````````````````````````````````````````````````````````` ?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. ! 561.6 5254.835 !Reducing parameters 5 0 0 0 0 0 !Number of terms in equation -8.98372 1.0 15.46 1.5 -37.11 1.9 40.852 2.3 -20.042 2.8 #DL !---Saturated liquid density--- DL1 !Saturated liquid density equation for dichloroethane of Thol et al. (2018). ? ?``````````````````````````````````````````````````````````````````````````````` ?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. ! 561.6 4.33 !Reducing parameters 4 0 0 0 0 0 !Number of terms in equation 1.70532 0.3 0.1786 0.7 1.479 1.1 -0.62248 1.5 #DV !---Saturated vapor density--- DV3 !Saturated vapor density equation for dichloroethane of Thol et al. (2018). ? ?``````````````````````````````````````````````````````````````````````````````` ?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. ! 561.6 4.33 !Reducing parameters 6 0 0 0 0 0 !Number of terms in equation -2.93901 0.37 -6.45628 1.2 -49.73 3.5 73.273 4.3 -83.717 5.4 -96.68 13.0 @END c 1 2 3 4 5 6 7 8 c2345678901234567890123456789012345678901234567890123456789012345678901234567890