Accuracy

dimethyl methylmalonate   1385 Dimethyl methylmalonate

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

    

    #  Species Formula
  1375 DioxybismethanolC2H6O4
  1376 (C2H4)BO4H2, anion (Geo)H6BC2O4
  1377 1,4-Dioxan-2,5-dioneC4H4O4
  1378 Dimethyl oxalateC4H6O4
  1379 1,3,5,7-TetroxaneC4H8O4
  1380 Dimethyl malonateC5H8O4
  1381 Ethylmalonic acidC5H8O4
  1382 Methylene diacetateC5H8O4
  1383 TetramethoxymethaneC5H12O4
  1384 1,1-DiacetoxyethaneC6H10O4
  1385 Dimethyl methylmalonate C6H10O4
  1386 2,2-DiacetoxypropaneC7H12O4
  1387 Diethyl malonateC7H12O4
  1388 Dimethyl dimethylmalonateC7H12O4
  1389 3,5,7,9-TetraoxyundecaneC7H16O4
  1390 12-Crown-4C8H16O4
  1391 5,8-Dihydroxy-1,4-naphthalenedioneC10H6O4
  1392 Dimethyl isophthalateC10H10O4
  1393 Dimethyl phthalateC10H10O4
  1394 1-(tert-Butyldioxy)-3-propoxy-2-propanolC10H22O4
  1395 Be(II)O4 (ACACBE02) (Geo)H14BeC10O4


ΔHf: -183.7 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.
  
 PM7
Dimethyl methylmalonate
 H=-183.69 HR=NIST
  C     0.47512524 +1   0.90077942 +1  -0.16210009 +1
  O     1.69681197 +1   1.27954103 +1   0.46706912 +1
  C     2.48493632 +1   0.26900746 +1   0.90025440 +1
  O     2.21008947 +1  -0.89253890 +1   0.76382334 +1
  C     3.71146450 +1   0.82595693 +1   1.58505994 +1
  C     4.07187840 +1   2.19657866 +1   1.05765461 +1
  O     3.89087825 +1   3.26207460 +1   1.57860764 +1
  O     4.71047417 +1   2.04911238 +1  -0.13167771 +1
  C     5.15080818 +1   3.25059602 +1  -0.75851515 +1
  C     3.43796499 +1   0.90751935 +1   3.08439638 +1
  H     0.66818222 +1   0.24512531 +1  -1.01772023 +1
  H    -0.17812820 +1   0.40357285 +1   0.56249951 +1
  H     0.06176808 +1   1.86497536 +1  -0.48205379 +1
  H     4.56645530 +1   0.11815250 +1   1.38703388 +1
  H     5.88078422 +1   3.76096758 +1  -0.12098901 +1
  H     4.29858041 +1   3.90651968 +1  -0.96490174 +1
  H     5.61186122 +1   2.88977799 +1  -1.68558921 +1
  H     2.66330614 +1   1.65642954 +1   3.31364081 +1
  H     4.33775754 +1   1.20783158 +1   3.63905317 +1
  H     3.10296664 +1  -0.05773016 +1   3.48790878 +1