Accuracy

dimethyl malonate   1179 Dimethyl malonate

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    #  Species Formula
  1169 Ile-ile (Geo)C12H24N2O3
  1170 Naphthoquinone dye (Torsion angle) (Geo)C21H20N2O3
  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 malonate C5H8O4
  1180 Ethylmalonic acidC5H8O4
  1181 Methylene diacetateC5H8O4
  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


ΔHf: -176.3 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.
  

Dimethyl malonate
 H=-176.35 HR=NIST
  C    -0.00086141 +1   0.07980670 +1  -0.04052980 +1
  O     1.40482649 +1   0.21749301 +1  -0.23397000 +1
  C     2.00989883 +1   1.19349094 +1   0.48866615 +1
  O     1.42971740 +1   1.89717688 +1   1.26864268 +1
  C     3.47984717 +1   1.18399801 +1   0.17795942 +1
  C     3.94956936 +1   2.56544325 +1  -0.18060790 +1
  O     3.45325578 +1   3.33162530 +1  -0.95943021 +1
  O     5.09615493 +1   2.82445837 +1   0.49780923 +1
  C     5.69035013 +1   4.09742457 +1   0.25550424 +1
  H    -0.22013271 +1  -0.15946034 +1   1.00525599 +1
  H    -0.51163370 +1   1.00247442 +1  -0.33857734 +1
  H    -0.25833065 +1  -0.75428994 +1  -0.70354130 +1
  H     4.03477930 +1   0.78081857 +1   1.06036079 +1
  H     3.71579103 +1   0.48845765 +1  -0.66434740 +1
  H     5.01000758 +1   4.89622697 +1   0.57093400 +1
  H     5.94440897 +1   4.20432648 +1  -0.80444769 +1
  H     6.59113504 +1   4.07094471 +1   0.88019716 +1