Accuracy

o-dinitrobenzene   1211 o-Dinitrobenzene

(Previous)     (Back)     (Next)         Geometry predicted using PM7

    

    #  Species Formula
  1201 Dimethyl naphthalene-2,6-dicarboxylateC14H12O4
  1202 p-Diacetylbenzene diethyl ketalC18H30O4
  1203 Aspartic acidC4H7NO4
  1204 Glutamic acidC5H9NO4
  1205 4-NitrocatecholC6H5NO4
  1206 p-Nitrobenzoic acidC7H5NO4
  1207 Dinitrogen tetroxideN2O4
  1208 Dinitrogen tetroxide (Geo)N2O4
  1209 DinitromethaneCH2N2O4
  1210 m-DinitrobenzeneC6H4N2O4
  1211 o-Dinitrobenzene C6H4N2O4
  1212 p-DinitrobenzeneC6H4N2O4
  1213 DinitrophenylmethaneC7H6N2O4
  1214 2,4-DinitrotolueneC7H6N2O4
  1215 N,N'-Bis(m-methoxyphenyl) terephthalamideC22H20N2O4
  1216 N,N'-Bis(o-methoxyphenyl) terephthalamideC22H20N2O4
  1217 N,N'-Bis(p-methoxyphenyl) terephthalamideC22H20N2O4
  1218 MethyldinitramineCH3N3O4
  1219 Tartronic acidC3H4O5
  1220 1,3,5,7,9-pentaoxecaneC5H10O5
  1221 3,5,7,9,11-Pentaoxa-tridecaneC8H18O5


ΔHf: 20.2 kcal/mol,     REF: D. Hwang, M. Tamura, T. Yoshida, N. Tanaka, F. Hosoya, J. Energetic Matls, (1989) in press.
  

o-Dinitrobenzene
 H=20.2 HR=HTYT1989
  C     0.00312599 +1  -0.00308703 +1   0.00663601 +1
  C     1.40182733 +1   0.00842822 +1  -0.02200409 +1
  C     2.12240685 +1   1.20295432 +1  -0.05541230 +1
  C     1.40309249 +1   2.39898277 +1  -0.05638835 +1
  C    -0.68918282 +1   1.20530101 +1   0.00553598 +1
  C     0.00444212 +1   2.41297662 +1  -0.02469186 +1
  H    -0.53906808 +1  -0.95708078 +1   0.02976806 +1
  N     2.12321254 +1  -1.26029406 +1  -0.01467100 +1
  H    -1.78055495 +1   1.20621229 +1   0.02871086 +1
  H     3.22487600 +1   1.20212859 +1  -0.08057316 +1
  H    -0.53700534 +1   3.36755854 +1  -0.02350828 +1
  N     2.12661849 +1   3.66581986 +1  -0.09122197 +1
  O     3.34292704 +1   3.62807143 +1  -0.14302828 +1
  O     1.47146630 +1   4.69400841 +1  -0.06627880 +1
  O     1.46511823 +1  -2.28678506 +1  -0.00630988 +1
  O     3.34055954 +1  -1.22543714 +1  -0.01622034 +1