Accuracy

diethyl malonate   1387 Diethyl malonate

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    #  Species Formula
  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 methylmalonateC6H10O4
  1386 2,2-DiacetoxypropaneC7H12O4
  1387 Diethyl malonate C7H12O4
  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
  1396 Be(II)O4 (ACACBE02)H14BeC10O4
  1397 Benzal diacetateC11H12O4


ΔHf: -190.1 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.
  
 PM7
Diethyl malonate
 H=-190.1 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.50291137 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.50362435 +1  109.7853155 +1    0.0000000 +0     2     1     0
  O     1.20207391 +1  127.1681967 +1   58.2910259 +1     3     2     1
  O     1.20166256 +1  127.3177809 +1   52.6672643 +1     1     2     3
  O     1.35120178 +1  109.1814830 +1  178.3410488 +1     1     2     5
  C     1.43976219 +1  116.0357667 +1  179.3661235 +1     6     1     2
  C     1.51881993 +1  103.8645641 +1  179.2987150 +1     7     6     1
  O     1.35081285 +1  109.2419463 +1  178.4608588 +1     3     2     4
  C     1.43984550 +1  116.0575666 +1  178.8327265 +1     9     3     2
  C     1.51884691 +1  103.8417776 +1 -177.8502832 +1    10     9     3
  H     1.11670242 +1  111.4300204 +1  121.1698781 +1     2     1     3
  H     1.11700549 +1  109.1749317 +1  116.4825428 +1     2     1    12
  H     1.10469770 +1  108.2050654 +1  120.4531452 +1     7     6     8
  H     1.10379001 +1  108.5549151 +1  118.8435552 +1     7     6    14
  H     1.09774858 +1  111.4987298 +1  -60.8510756 +1     8     7     6
  H     1.09893057 +1  111.2869116 +1  119.2587402 +1     8     7    16
  H     1.09612789 +1  111.1124965 +1  120.2559834 +1     8     7    17
  H     1.10370933 +1  108.3461698 +1 -120.6611309 +1    10     9    11
  H     1.10480647 +1  108.4083555 +1 -118.8598985 +1    10     9    19
  H     1.09884693 +1  111.2883233 +1   59.7441785 +1    11    10     9
  H     1.09783608 +1  111.4720352 +1 -119.2404761 +1    11    10    21
  H     1.09610936 +1  111.1206004 +1 -120.4805015 +1    11    10    22