Accuracy

methylene diacetate   1181 Methylene diacetate

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    #  Species Formula
  1171 1,3,5-Triazine-2,4,6(1H,3H,5H)-trioneC3H3N3O3
  1172 1,3,5-Trimethyl-s-triazine-2,4,6-trioneC6H9N3O3
  1173 2,4,6-Trimethoxy-s-triazineC6H9N3O3
  1174 Oxalic acidC2H2O4
  1175 DioxybismethanolC2H6O4
  1176 1,4-Dioxan-2,5-dioneC4H4O4
  1177 Dimethyl oxalateC4H6O4
  1178 1,3,5,7-TetroxaneC4H8O4
  1179 Dimethyl malonateC5H8O4
  1180 Ethylmalonic acidC5H8O4
  1181 Methylene diacetate C5H8O4
  1182 TetramethoxymethaneC5H12O4
  1183 Dimethyl methylmalonateC6H10O4
  1184 1,1-DiacetoxyethaneC6H10O4
  1185 Diethyl malonateC7H12O4
  1186 Dimethyl dimethylmalonateC7H12O4
  1187 2,2-DiacetoxypropaneC7H12O4
  1188 3,5,7,9-TetraoxyundecaneC7H16O4
  1189 12-Crown-4C8H16O4
  1190 5,8-Dihydroxy-1,4-naphthalenedioneC10H6O4
  1191 Dimethyl isophthalateC10H10O4


ΔHf: -186.6 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  

Methylene diacetate
 H=-186.58 HR=NIST
  C    -0.07944769 +1   0.00822375 +1  -0.03195751 +1
  C     1.07191943 +1   0.17744547 +1  -0.95918085 +1
  O     1.05411224 +1   0.33789698 +1  -2.14863233 +1
  O     2.23507116 +1   0.15999676 +1  -0.24112066 +1
  C     3.45830447 +1   0.18145579 +1  -0.94293896 +1
  O     3.70870142 +1  -1.10817268 +1  -1.45546283 +1
  C     4.20899574 +1  -2.06379409 +1  -0.61633866 +1
  O     4.56581501 +1  -1.81514679 +1   0.50247013 +1
  C     4.25177654 +1  -3.36675668 +1  -1.33373326 +1
  H    -0.60959981 +1  -0.93497144 +1  -0.24197937 +1
  H     0.22621489 +1  -0.01009018 +1   1.02721690 +1
  H    -0.80555625 +1   0.82694878 +1  -0.16096446 +1
  H     3.41165470 +1   0.81057110 +1  -1.85116272 +1
  H     4.19216982 +1   0.48007964 +1  -0.17108778 +1
  H     4.01470190 +1  -3.26764630 +1  -2.40582143 +1
  H     3.52386479 +1  -4.07086875 +1  -0.89996766 +1
  H     5.24869815 +1  -3.82776854 +1  -1.24587002 +1