Accuracy

dimethyl phthalate   1393 Dimethyl phthalate

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    #  Species Formula
  1383 TetramethoxymethaneC5H12O4
  1384 1,1-DiacetoxyethaneC6H10O4
  1385 Dimethyl methylmalonateC6H10O4
  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 phthalate C10H10O4
  1394 1-(tert-Butyldioxy)-3-propoxy-2-propanolC10H22O4
  1395 Be(II)O4 (ACACBE02) (Geo)H14BeC10O4
  1396 Be(II)O4 (ACACBE02)H14BeC10O4
  1397 Benzal diacetateC11H12O4
  1398 1-Butoxy-1-tert-butyldioxy-2-propanolC11H24O4
  1399 1,1-Ethanediol, 2-phenyl-, diacetateC12H14O4
  1400 Benzyl diacetateC12H14O4
  1401 Be(II)O4(2-) (YAMBOD) (Geo)H8BeC12O4
  1402 Be(II)O4(2-) (YAMBOD)H8BeC12O4
  1403 1,4,9,10-AnthracenetetroneC14H6O4


ΔHf: -144.9 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 phthalate
 H=-144.9 HR=NIST
  C     0.01462424 +1  -0.03709100 +1  -0.05962665 +1
  C     1.38309850 +1   0.01509528 +1   0.20887972 +1
  C     2.20780498 +1   0.86161019 +1  -0.53124109 +1
  C     1.65618946 +1   1.66892780 +1  -1.52544740 +1
  C     0.28629057 +1   1.63165556 +1  -1.77831744 +1
  C    -0.53804112 +1   0.77743341 +1  -1.04699632 +1
  C    -0.89309216 +1  -0.94331535 +1   0.68277095 +1
  O    -1.98707855 +1  -0.68258377 +1   1.10914761 +1
  O    -0.32700039 +1  -2.17224597 +1   0.77154322 +1
  C    -1.03429407 +1  -3.12747551 +1   1.55871101 +1
  C     1.96781826 +1  -0.79144410 +1   1.30499153 +1
  O     1.52761643 +1  -0.95471438 +1   2.41216779 +1
  O     3.15351214 +1  -1.31703242 +1   0.89733961 +1
  C     3.85387765 +1  -2.08707003 +1   1.87012293 +1
  H    -1.61334693 +1   0.74887767 +1  -1.23757699 +1
  H     3.28091166 +1   0.88765510 +1  -0.33292274 +1
  H     2.30077027 +1   2.33178333 +1  -2.10215950 +1
  H    -0.14492019 +1   2.27124909 +1  -2.54813073 +1
  H    -2.05799137 +1  -3.24893040 +1   1.18926501 +1
  H    -1.03495567 +1  -2.80744841 +1   2.60755252 +1
  H    -0.44417231 +1  -4.04086260 +1   1.42218349 +1
  H     3.23512654 +1  -2.92178357 +1   2.21694589 +1
  H     4.14327065 +1  -1.45023045 +1   2.71285149 +1
  H     4.72848326 +1  -2.44383259 +1   1.31448511 +1