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[null,null,"Joback Group Contribution Method for Property Estimation",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Joback Group Contribution Method for Property Estimation"]
[null,null,null,null,"Tohoku University, Version 1.7",null,null,"For Educational Use Only!",null,null,null,null,null,null,null,null,null,null,null,null,null,null,{"$f":"W6*(8.314/1.987)*(1/1000)","v":0}]
[null,null,null,null,null,"Report errors to R. L. Smith;  Email: smith@scf.che.tohoku.ac.jp",null,null,null,null,null,null,null,null,null,"SUMS"]
[null,"Groups",null,"Enter Number",null,null,null,null,null,null,null,null,null,null,null,"Tc","Pc","Vc","Tb","Tf","Hfk","Gfk","Hvk","Hmk","CpAk","CpBk","CpCk","CpDk",null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Groups",null,"nA","Tc","Pc","Vc","Tb","Tf","Hfk","Gfk","Hvk","Hmk","CpAk","CpBk","CpCk","CpDk"]
[null,"Nonring increments:",null,"of Groups",null,"Estimation for known Tb",null,null,null,"Estimation for known Tb",null,null,null,null,null,"[K]","[bar]","[cm3/mol]","[K]","[K]","[kJ/mol]","[kJ/mol]","[kJ/mol]","[kJ/mol]","[J/mol K]","[J/mol K]","[J/mol K]","[J/mol K]","nA","Sub MW","Group MW","C","H","F","Cl","Br","I","O","N","S",null,null,"Nonring increments:",null,null,"[K]","[bar]","[cm3/mol]","[K]","[K]","[kJ/mol]","[kJ/mol]","[cal/mol]","[cal/mol]","[J/mol K]","[J/mol K]","[J/mol K]","[J/mol K]"]
[null,"-CH3",null,null,{"$f":"IF(D6>=0 & D6<=100,\"\",IF(D6 >= \" \",\"X\",IF(D6<0,\"X\",\"\")))","v":""},"MW",{"$f":"IF(AC51=0, \"      - \",AD51)","v":214.21669999999997},null,null,null,{"$f":"IF(AC51=0, \"      - \",AD51)","v":214.21669999999997},null,null,null,null,{"$f":"$D6*AT6","v":0},{"$f":"$D6*AU6","v":0},{"$f":"$D6*AV6","v":0},{"$f":"$D6*AW6","v":0},{"$f":"$D6*AX6","v":0},{"$f":"$D6*AY6","v":0},{"$f":"$D6*AZ6","v":0},{"$f":"$D6*BA6*(8.314/1.987)*(1/1000)","v":0},{"$f":"$D6*BB6*(8.314/1.987)*(1/1000)","v":0},{"$f":"$D6*BC6","v":0},{"$f":"$D6*BD6","v":0},{"$f":"$D6*BE6","v":0},{"$f":"$D6*BF6","v":0},{"$f":"$D6*AS6","v":0},{"$f":"D6*AE6","v":0},{"$f":"AF6*12.0107+AG6*1.00794+AH6*18.9984032+AI6*35.4527+AJ6*79.904+AK6*126.90447+AL6*15.9994+AM6*14.00674+AN6*32.066","v":15.034520000000001},1,3,null,null,null,null,null,null,null,null,null,"-CH3",null,4,1.41E-2,-1.1999999999999999E-3,65,23.58,-5.0999999999999996,-76.45,-43.96,567,217,19.5,-8.0800000000000004E-3,1.5300000000000001E-4,-9.6699999999999999E-8]
[null,">CH2",null,null,{"$f":"IF(D7>=0 & D7<=100,\"\",IF(D7 >= \" \",\"X\",IF(D7<0,\"X\",\"\")))","v":""},"Tb / K",579.15,"Enter Value for Tb in K",null,null,{"$f":"IF(AC51=0, \"      - \",198+S51)","v":666.51},{"$f":"IF(AC51=0, \"      - \",K7-273.15)","v":393.36},"oC",null,null,0,0,0,0,0,0,0,{"$f":"$D7*BA7*(8.314/1.987)*(1/1000)","v":0},{"$f":"$D7*BB7*(8.314/1.987)*(1/1000)","v":0},{"$f":"$D7*BC7","v":0},0,0,0,0,0,{"$f":"AF7*12.0107+AG7*1.00794+AH7*18.9984032+AI7*35.4527+AJ7*79.904+AK7*126.90447+AL7*15.9994+AM7*14.00674+AN7*32.066","v":14.026579999999999},1,2,null,null,null,null,null,null,null,null,null,">CH2",null,3,1.89E-2,0,56,22.88,11.27,-20.64,8.42,532,619,-0.90900000000000003,9.5000000000000001E-2,-5.4400000000000001E-5,1.1900000000000001E-8]
[null,">CH-",null,null,"",null,null,null,null,null,null,null,null,null,null,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.01864,1,1,null,null,null,null,null,null,null,null,null,">CH-",null,2,1.6400000000000001E-2,2E-3,41,21.74,12.64,29.89,58.36,404,179,-23,0.20399999999999999,-2.6499999999999999E-4,1.1999999999999999E-7]
[null,">C<",null,null,"","Tc / K",{"$f":"IF(AC51=0, \"      - \",IF(G7=\"\",\"      - \",G7/(0.584+0.965*P51-P51^2)))","v":806.59115400625183},null,null,null,{"$f":"IF(AC51=0, \"      - \",K7/(0.584+0.965*P51-P51^2))","v":928.25877589002323},{"$f":"IF(AC51=0, \"      - \",K9-273.15)","v":655.10877589002325},"oC",null,null,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.0107,1,null,null,null,null,null,null,null,null,null,null,">C<",null,1,6.7000000000000002E-3,4.3E-3,27,18.25,46.43,82.23,116.02,152,-349,-66.2,0.42699999999999999,-6.4099999999999997E-4,3.0100000000000001E-7]
[null,"=CH2",null,null,"","Pc / MPa",{"$f":"IF(AC51=0, \"      - \",(0.113+0.0032*AC51-Q51)^(-2)/10)","v":3.4238590246589746},null,null,null,{"$f":"IF(AC51=0, \"      - \",(0.113+0.0032*AC51-Q51)^(-2)/10)","v":3.4238590246589746},null,null,null,null,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.026579999999999,1,2,null,null,null,null,null,null,null,null,null,"=CH2",null,3,1.1299999999999999E-2,-2.8E-3,56,18.18,-4.32,-9.6300000000000008,3.77,412,-113,-23.6,-3.8100000000000002E-2,1.7200000000000001E-4,-1.03E-7]
[null,"=CH-",null,null,"","Vc / cm3/mol",{"$f":"IF(AC51=0, \"      - \",17.5+R51)","v":579.5},null,null,null,{"$f":"IF(AC51=0, \"      - \",17.5+R51)","v":579.5},null,null,null,null,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.01864,1,1,null,null,null,null,null,null,null,null,null,"=CH-",null,2,1.29E-2,-5.9999999999999995E-4,46,24.96,8.73,37.97,48.53,527,643,-8,0.105,-9.6299999999999996E-5,3.5600000000000001E-8]
[null,"=C<",null,null,"","Tf / K",{"$f":"IF(AC51=0, \"      - \",122+T51)","v":384.64000000000004},null,null,null,{"$f":"IF(AC51=0, \"      - \",122+T51)","v":384.64000000000004},null,null,null,null,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.0107,1,null,null,null,null,null,null,null,null,null,null,"=C<",null,1,1.17E-2,1.1000000000000001E-3,38,24.14,11.14,83.99,92.36,511,732,-28.1,0.20799999999999999,-3.0600000000000001E-4,1.4600000000000001E-7]
[null,"=C=",null,null,"","w",{"$f":"IF(AC51=0, \"      - \",IF(G7=\"\",\"      - \",omega(G7,G9,G10)))","v":0.67558655984393068},null,null,null,{"$f":"IF(AC51=0, \"      - \",IF(K7=\"\",\"      - \",omega(K7,K9,K10)))","v":0.67558655984393068},null,null,null,null,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.0107,1,null,null,null,null,null,null,null,null,null,null,"=C=",null,1,2.5999999999999999E-3,2.8E-3,36,26.15,17.78,142.13999999999999,136.69999999999999,636,1128,27.4,-5.57E-2,1.01E-4,-5.02E-8]
[null,"-=CH (triple bond)",null,null,"","Ideal gas properties",null,null,null,"Ideal gas properties",null,null,null,null,null,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,13.01864,1,1,null,null,null,null,null,null,null,null,null,"-=CH (triple bond)",null,2,2.7000000000000001E-3,-8.0000000000000004E-4,46,9.1999999999999993,-11.18,79.3,77.709999999999994,276,555,24.5,-2.7099999999999999E-2,1.11E-4,-6.7799999999999998E-8]
[null,"-=C- (triple bond)",null,null,"","DHfo [kJ/mol]",{"$f":"IF(AC51=0, \"      - \",68.29+U51)","v":-227.48999999999995},null,null,"DHfo [kJ/mol]",{"$f":"G15","v":-227.48999999999995},null,null,null,null,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,12.0107,1,null,null,null,null,null,null,null,null,null,null,"-=C- (triple bond)",null,1,2E-3,1.6000000000000001E-3,37,27.38,64.319999999999993,115.51,109.82,789,992,7.78,2.0099999999999996E-2,-8.3299999999999999E-6,1.39E-9]
[null,"Ring increments:",null,null,"","DGfo [kJ/mol]",{"$f":"IF(AC51=0, \"      - \",53.88+V51)","v":-41.96},"Enter Value for T in K",null,"DGfo [kJ/mol]",{"$f":"G16","v":-41.96},null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Ring increments:"]
[null,"-CH2-",null,null,"","Cpo(T) [J/mol K]",{"$f":"IF(AC51=0, \"      - \",G24+H24*H17+I24*H17^2+J24*H17^3)","v":210.41398616615322},298.14999999999998,"K","Cpo(T) [J/mol K]",{"$f":"G17","v":210.41398616615322},null,null,null,null,{"$f":"$D17*AT17","v":0},0,0,0,0,0,0,0,0,{"$f":"$D17*BC17","v":0},0,0,0,{"$f":"$D17*AS17","v":0},{"$f":"D17*AE17","v":0},14.026579999999999,1,2,null,null,null,null,null,null,null,null,null,"-CH2-",null,3,0.01,2.5000000000000001E-3,48,27.15,7.75,-26.8,-3.68,573,117,-6.03,8.539999999999999E-2,-7.9999999999999996E-6,-1.7999999999999999E-8]
[null,">CH-",null,null,"","Other properties",null,{"$f":"H17-273.15","v":25},"oC",null,null,null,null,null,null,0,0,0,0,0,0,0,{"$f":"$D18*BA18*(8.314/1.987)*(1/1000)","v":0},{"$f":"$D18*BB18*(8.314/1.987)*(1/1000)","v":0},0,0,0,0,{"$f":"$D18*AS18","v":0},{"$f":"D18*AE18","v":0},13.01864,1,1,null,null,null,null,null,null,null,null,null,">CH-",null,2,1.2200000000000001E-2,4.0000000000000002E-4,38,21.78,19.88,8.67,40.99,464,775,8.67,0.16200000000000001,-1.6000000000000001E-4,6.2400000000000003E-8]
[null,">C<",null,null,"","DHvap [kJ/mol]",{"$f":"IF(AC51=0, \"      - \",15.3+W51)","v":65.192368394564681},"at Tb",null,"DHvap [kJ/mol]",{"$f":"G19","v":65.192368394564681},null,null,null,null,0,0,0,0,0,0,0,0,{"$f":"$D19*BB19*(8.314/1.987)*(1/1000)","v":0},0,0,0,0,{"$f":"$D19*AS19","v":0},{"$f":"D19*AE19","v":0},12.0107,1,null,null,null,null,null,null,null,null,null,null,">C<",null,1,4.1999999999999997E-3,6.1000000000000004E-3,27,21.32,60.15,79.72,87.88,154,-328,-90.9,0.55700000000000005,-8.9999999999999998E-4,4.6899999999999998E-7]
[null,"=CH-",null,10,"","DHmelt [kJ/mol]",{"$f":"IF(AC51=0, \"      - \",-0.88+X51)","v":30.85713638651233},"at Tm",null,"DHmelt [kJ/mol]",{"$f":"G20","v":30.85713638651233},null,null,null,null,8.2000000000000003E-2,1.1000000000000001E-2,410,267.3,81.300000000000011,20.9,113,25.439919476597886,{"$f":"$D20*BB20*(8.314/1.987)*(1/1000)","v":11.00443885254152},-21.400000000000002,0.57399999999999995,-1.6399999999999999E-5,-1.5900000000000001E-7,{"$f":"$D20*AS20","v":20},{"$f":"D20*AE20","v":130.18639999999999},13.01864,1,1,null,null,null,null,null,null,null,null,null,"=CH-",null,2,8.2000000000000007E-3,1.1000000000000001E-3,41,26.73,8.1300000000000008,2.09,11.3,608,263,-2.14,5.74E-2,-1.64E-6,-1.59E-8]
[null,"=C<",null,2,"",null,null,null,null,null,null,null,null,null,null,2.86E-2,1.6000000000000001E-3,64,62.02,74.040000000000006,92.86,108.1,6.1172964267740308,{"$f":"$D21*BB21*(8.314/1.987)*(1/1000)","v":4.7867216909914445},-16.5,0.20200000000000001,-2.8400000000000002E-4,1.356E-7,{"$f":"$D21*AS21","v":2},{"$f":"D21*AE21","v":24.0214},12.0107,1,null,null,null,null,null,null,null,null,null,null,"=C<",null,1,1.43E-2,8.0000000000000004E-4,32,31.01,37.020000000000003,46.43,54.05,731,572,-8.25,0.10100000000000001,-1.4200000000000001E-4,6.7799999999999998E-8]
[null,"Halogen increments:",null,null,"","Cpo [J/mol K]= A + B*T + C*T2 + D*T3  (T in K)",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Halogen increments:"]
[null,"-F",null,null,"",null,"A","B","C","D",null,null,null,null,null,{"$f":"$D23*AT23","v":0},0,0,0,0,0,0,0,0,0,0,0,0,{"$f":"$D23*AS23","v":0},{"$f":"D23*AE23","v":0},18.998403199999998,null,null,1,null,null,null,null,null,null,null,null,"-F",null,1,1.11E-2,-5.7000000000000002E-3,27,-0.03,-15.78,-251.92,-247.19,-160,334,26.5,-9.1300000000000006E-2,1.9100000000000001E-4,-1.03E-7]
[null,"-Cl",null,null,"","Cpo(T) [J/mol K]",{"$f":"IF(AC51=0, \"      - \",Y51-37.93)","v":-44.980000000000004},{"$f":"IF(AC51=0, \"      - \",Z51+0.21)","v":1.0278},{"$f":"IF(AC51=0, \"      - \",AA51-0.000391)","v":-6.0650000000000005E-4},{"$f":"IF(AC51=0, \"      - \",AB51+0.000000206)","v":1.0825999999999998E-7},null,null,null,null,null,0,0,0,0,0,0,0,{"$f":"$D24*BA24*(8.314/1.987)*(1/1000)","v":0},{"$f":"$D24*BB24*(8.314/1.987)*(1/1000)","v":0},0,0,0,0,{"$f":"$D24*AS24","v":0},{"$f":"D24*AE24","v":0},35.4527,null,null,null,1,null,null,null,null,null,null,null,"-Cl",null,1,1.0500000000000001E-2,-4.8999999999999998E-3,58,38.130000000000003,13.55,-71.55,-64.31,1083,601,33.299999999999997,-9.6300000000000011E-2,1.8699999999999999E-4,-9.9600000000000005E-8]
[null,"-Br",null,null,"",null,null,null,null,null,null,null,null,null,null,0,0,0,0,0,0,0,0,{"$f":"$D25*BB25*(8.314/1.987)*(1/1000)","v":0},0,0,0,0,{"$f":"$D25*AS25","v":0},{"$f":"D25*AE25","v":0},79.903999999999996,null,null,null,null,1,null,null,null,null,null,null,"-Br",null,1,1.3299999999999999E-2,5.7000000000000002E-3,71,66.86,43.43,-29.48,-38.06,1573,861,28.6,-6.4899999999999999E-2,1.36E-4,-7.4499999999999999E-8]
[null,"-I",null,null,"",null,null,null,null,null,null,null,null,null,null,0,0,0,0,0,0,0,0,{"$f":"$D26*BB26*(8.314/1.987)*(1/1000)","v":0},0,0,0,0,{"$f":"$D26*AS26","v":0},{"$f":"D26*AE26","v":0},126.90447,null,null,null,null,null,1,null,null,null,null,null,"-I",null,1,6.7999999999999996E-3,-3.3999999999999998E-3,97,93.84,41.69,21.06,5.74,2275,651,32.1,-6.4100000000000004E-2,1.26E-4,-6.87E-8]
[null,"Oxygen increments:",null,null,"","X = Error; delete entry or Reset",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Oxygen increments:"]
[null,"-OH","(alcohol)",null,"",null,null,null,null,null,null,null,null,null,null,{"$f":"$D28*AT28","v":0},{"$f":"$D28*AU28","v":0},{"$f":"$D28*AV28","v":0},{"$f":"$D28*AW28","v":0},{"$f":"$D28*AX28","v":0},{"$f":"$D28*AY28","v":0},{"$f":"$D28*AZ28","v":0},0,0,{"$f":"$D28*BC28","v":0},{"$f":"$D28*BD28","v":0},{"$f":"$D28*BE28","v":0},{"$f":"$D28*BF28","v":0},{"$f":"$D28*AS28","v":0},{"$f":"D28*AE28","v":0},17.007339999999999,null,1,null,null,null,null,1,null,null,null,null,"-OH","(alcohol)",2,7.4099999999999999E-2,1.12E-2,28,92.88,44.45,-208.04,-189.2,4021,575,25.7,-6.9099999999999995E-2,1.7699999999999999E-4,-9.8799999999999998E-8]
[null,"-OH","(phenol)",null,"",null,null,null,null,null,null,null,null,null,null,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,17.007339999999999,null,1,null,null,null,null,1,null,null,null,null,"-OH","(phenol)",2,2.4E-2,1.84E-2,-25,76.34,82.83,-221.65,-197.37,2987,1073,-2.81,0.111,-1.16E-4,4.9399999999999999E-8]
[null,"-O-","(nonring)",null,"",null,null,null,null,null,null,null,null,null,null,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.9994,null,null,null,null,null,null,1,null,null,null,null,"-O-","(nonring)",1,1.6799999999999999E-2,1.5E-3,18,22.42,22.23,-132.22,-105,576,284,25.5,-6.3200000000000006E-2,1.11E-4,-5.4800000000000001E-8]
[null,"-O-","(ring)",2,"",null,null,null,null,null,null,null,null,null,null,1.9599999999999999E-2,9.5999999999999992E-3,26,62.44,46.1,-276.32,-196.44,9.3642335178661291,11.757594363361852,24.4,-2.52E-2,1.206E-4,-7.7200000000000003E-8,2,31.998799999999999,15.9994,null,null,null,null,null,null,1,null,null,null,null,"-O-","(ring)",1,9.7999999999999997E-3,4.7999999999999996E-3,13,31.22,23.05,-138.16,-98.22,1119,1405,12.2,-1.26E-2,6.0300000000000002E-5,-3.8600000000000002E-8]
[null,">C=0","(nonring)",1,"",null,null,null,null,null,null,null,null,null,null,3.7999999999999999E-2,3.0999999999999999E-3,62,76.75,61.2,-133.22,-120.5,8.9709189733266239,4.1883814796175143,6.45,6.7000000000000004E-2,-3.57E-5,2.86E-9,2,28.010100000000001,28.010100000000001,1,null,null,null,null,null,1,null,null,null,null,">C=0","(nonring)",2,3.7999999999999999E-2,3.0999999999999999E-3,62,76.75,61.2,-133.22,-120.5,2144,1001,6.45,6.7000000000000004E-2,-3.57E-5,2.86E-9]
[null,">C=0","(ring)",null,"",null,null,null,null,null,null,null,null,null,null,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,28.010100000000001,1,null,null,null,null,null,1,null,null,null,null,">C=0","(ring)",2,2.8400000000000002E-2,2.8E-3,55,94.97,75.97,-164.5,-126.27,1588,null,30.4,-8.2899999999999988E-2,2.3599999999999999E-4,-1.31E-7]
[null,"0=CH-","(aldehyde)",null,"",null,null,null,null,null,null,null,null,null,null,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,29.018039999999999,1,1,null,null,null,null,1,null,null,null,null,"0=CH-","(aldehyde)",3,3.7900000000000003E-2,3.0000000000000001E-3,82,72.239999999999995,36.9,-162.03,-143.47999999999999,2173,764,30.9,-3.3599999999999998E-2,1.6000000000000001E-4,-9.8799999999999998E-8]
[null,"-COOH","(acid)",null,"",null,null,null,null,null,null,null,null,null,null,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,45.017440000000001,1,1,null,null,null,null,2,null,null,null,null,"-COOH","(acid)",4,7.9100000000000004E-2,7.7000000000000002E-3,89,169.09,155.5,-426.72,-387.87,4669,2641,24.1,4.2699999999999995E-2,8.0400000000000003E-5,-6.87E-8]
[null,"-COO-","(ester)",null,"",null,null,null,null,null,null,null,null,null,null,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,44.009500000000003,1,null,null,null,null,null,2,null,null,null,null,"-COO-","(ester)",3,4.8099999999999997E-2,5.0000000000000001E-4,82,81.099999999999994,53.6,-337.92,-301.95,2302,1663,24.5,4.0199999999999993E-2,4.0200000000000001E-5,-4.5200000000000001E-8]
[null,"=O (except as above)",null,null,"",null,null,null,null,null,null,null,null,null,null,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.9994,null,null,null,null,null,null,1,null,null,null,null,"=O (except as above)",null,1,1.43E-2,1.01E-2,36,-10.5,2.08,-247.61,-250.83,1412,866,6.82,1.9599999999999999E-2,1.27E-5,-1.7800000000000001E-8]
[null,"Nitrogen increments",null,null,"",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Nitrogen increments"]
[null,"-NH2",null,null,"",null,null,null,null,null,null,null,null,null,null,{"$f":"$D39*AT39","v":0},0,0,0,0,0,{"$f":"$D39*AZ39","v":0},0,0,{"$f":"$D39*BC39","v":0},{"$f":"$D39*BD39","v":0},{"$f":"$D39*BE39","v":0},{"$f":"$D39*BF39","v":0},{"$f":"$D39*AS39","v":0},{"$f":"D39*AE39","v":0},16.02262,null,2,null,null,null,null,null,1,null,null,null,"-NH2",null,3,2.4299999999999999E-2,1.09E-2,38,73.23,66.89,-22.02,14.07,2578,840,26.9,-4.1200000000000001E-2,1.64E-4,-9.76E-8]
[null,">NH","(nonring)",null,"",null,null,null,null,null,null,null,null,null,null,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,15.01468,null,1,null,null,null,null,null,1,null,null,null,">NH","(nonring)",2,2.9499999999999998E-2,7.7000000000000002E-3,35,50.17,52.66,53.47,89.39,1538,1197,-1.21,7.6200000000000004E-2,-4.8600000000000002E-5,1.05E-8]
[null,">NH","(ring)",null,"",null,null,null,null,null,null,null,null,null,null,0,0,0,0,0,0,0,{"$f":"$D41*BA41*(8.314/1.987)*(1/1000)","v":0},0,0,0,0,0,0,0,15.01468,null,1,null,null,null,null,null,1,null,null,null,">NH","(ring)",2,1.2999999999999999E-2,1.14E-2,29,52.82,101.51,31.65,75.61,1656,1790,11.8,-2.3E-2,1.07E-4,-6.2800000000000006E-8]
[null,">N-","(nonring)",null,"",null,null,null,null,null,null,null,null,null,null,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.006740000000001,null,null,null,null,null,null,null,1,null,null,null,">N-","(nonring)",1,1.6899999999999998E-2,7.4000000000000003E-3,9,11.74,48.84,123.34,163.16,453,1124,-31.1,0.22700000000000001,-3.2000000000000003E-4,1.4600000000000001E-7]
[null,"-N=","(nonring)",null,"",null,null,null,null,null,null,null,null,null,null,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.006740000000001,null,null,null,null,null,null,null,1,null,null,null,"-N=","(nonring)",1,2.5499999999999998E-2,-9.9000000000000008E-3,null,74.599999999999994,null,23.61,null,797]
[null,"-N=","(ring)",null,"",null,null,null,null,null,null,null,null,null,null,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,14.006740000000001,null,null,null,null,null,null,null,1,null,null,null,"-N=","(ring)",1,8.5000000000000006E-3,7.6E-3,34,57.55,68.400000000000006,55.52,79.930000000000007,1560,872,8.83,-3.8400000000000001E-3,4.35E-5,-2.6000000000000001E-8]
[null,"-CN",null,null,"",null,null,null,null,null,null,null,null,null,null,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,26.017440000000001,1,null,null,null,null,null,null,1,null,null,null,"-CN",null,2,4.9599999999999998E-2,-1.01E-2,91,125.66,59.89,88.43,89.22,3071,577,36.5,-7.3299999999999997E-3,1.84E-4,-1.03E-7]
[null,"-NO2",null,null,"",null,null,null,null,null,null,null,null,null,null,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,46.005539999999996,null,null,null,null,null,null,2,1,null,null,null,"-NO2",null,3,4.3700000000000003E-2,6.4000000000000003E-3,91,152.54,127.24,-66.569999999999993,-16.829999999999998,4000,2313,25.9,-3.7399999999999998E-3,1.2899999999999999E-4,-8.8800000000000001E-8]
[null,"Sulfur increments:",null,null,"",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,{"$f":"$D47*BC48","v":0},null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Sulfur increments:"]
[null,"-SH",null,null,"",null,null,null,null,null,null,null,null,null,null,{"$f":"$D48*AT48","v":0},0,0,0,0,0,0,0,0,{"$f":"$D48*BC49","v":0},{"$f":"$D48*BD48","v":0},0,0,{"$f":"$D48*AS48","v":0},{"$f":"D48*AE48","v":0},33.07394,null,1,null,null,null,null,null,null,1,null,null,"-SH",null,2,3.0999999999999999E-3,8.3999999999999995E-3,63,63.56,20.09,-17.329999999999998,-22.99,1645,564,35.299999999999997,-7.5800000000000006E-2,1.85E-4,1.03E-7]
[null,"-S-","(nonring)",null,"",null,null,null,null,null,null,null,null,null,null,0,0,0,0,0,0,0,0,0,{"$f":"$D49*BC49","v":0},0,0,0,{"$f":"$D49*AS49","v":0},{"$f":"D49*AE49","v":0},32.066000000000003,null,null,null,null,null,null,null,null,1,null,null,"-S-","(nonring)",1,1.1900000000000001E-2,4.8999999999999998E-3,54,68.78,34.4,41.87,33.119999999999997,1629,987,19.600000000000001,-5.6100000000000004E-3,4.0200000000000001E-5,-2.7599999999999999E-8]
[null,"-S-","(ring)",null,"",null,null,null,null,null,null,null,null,null,null,0,0,0,0,0,0,0,0,0,{"$f":"$D50*BC50","v":0},0,0,0,{"$f":"$D50*AS50","v":0},{"$f":"D50*AE50","v":0},32.066000000000003,null,null,null,null,null,null,null,null,1,null,null,"-S-","(ring)",1,1.9E-3,5.1000000000000004E-3,38,52.1,79.930000000000007,39.1,27.76,1430,372,16.7,4.81E-3,2.7699999999999999E-5,-2.11E-8]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Sum",{"$f":"SUM(P6:P50)","v":0.16820000000000002},2.53E-2,562,468.51,262.64000000000004,-295.77999999999997,-95.84,49.892368394564677,31.737136386512329,-7.0500000000000069,0.81780000000000008,-2.1550000000000003E-4,-9.7740000000000014E-8,26,214.21669999999997]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,0,"Set = 0 for Hvap and Hmelt since group contributions are incorrect as printed in Poling et al., 2001"]

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