Accuracy

ethylmalonic acid   1180 Ethylmalonic acid

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

    

    #  Species Formula
  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 malonateC5H8O4
  1180 Ethylmalonic acid C5H8O4
  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
  1190 5,8-Dihydroxy-1,4-naphthalenedioneC10H6O4


ΔHf: -203.1 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.
  

Ethylmalonic acid
 H=-203.1 HR=NIST
  C    -0.09346161 +1  -0.00842702 +1   0.07512103 +1
  O     3.36097557 +1   1.73165738 +1   0.54599414 +1
  C     2.51735676 +1   0.98360405 +1   1.29859468 +1
  O     2.83784888 +1  -0.09135254 +1   1.72504648 +1
  C     1.19105152 +1   1.68329314 +1   1.44797326 +1
  C     1.38347137 +1   3.16232341 +1   1.66546090 +1
  O     0.96276806 +1   4.07988332 +1   1.01759833 +1
  O     2.10085058 +1   3.36232893 +1   2.79959008 +1
  H    -0.72997634 +1  -0.31178986 +1   0.91519558 +1
  H     0.76184274 +1  -0.69710888 +1   0.05407046 +1
  H    -0.66692161 +1  -0.17698731 +1  -0.84514438 +1
  H     4.25127810 +1   1.31802018 +1   0.41481751 +1
  C     0.34629778 +1   1.44689515 +1   0.18489432 +1
  H     0.66372816 +1   1.25077402 +1   2.34636082 +1
  H     2.27885171 +1   4.31691219 +1   2.99424445 +1
  H    -0.54052918 +1   2.11563142 +1   0.20101146 +1
  H     0.91924524 +1   1.75300280 +1  -0.71614195 +1