Accuracy

dimethyl isophthalate   1392 Dimethyl isophthalate

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    #  Species Formula
  1382 Methylene diacetateC5H8O4
  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 isophthalate C10H10O4
  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
  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


ΔHf: -150.4 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 isophthalate
 H=-150.4 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39416776 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39873955 +1  120.5168033 +1    0.0000000 +0     2     1     0
  C     1.39260876 +1  119.8937303 +1    0.0345117 +1     3     2     1
  C     1.39360007 +1  120.0296738 +1   -0.0174811 +1     4     3     2
  C     1.39681974 +1  119.8079194 +1   -0.0048906 +1     5     4     3
  C     1.47343924 +1  121.6428625 +1 -179.9435712 +1     6     5     4
  O     1.20492650 +1  127.0426721 +1  179.6535177 +1     7     6     5
  O     1.36065251 +1  110.8539819 +1  179.9896545 +1     7     6     8
  C     1.42442493 +1  115.7062980 +1  179.9150444 +1     9     7     6
  C     1.47410122 +1  121.6994521 +1 -179.9885971 +1     2     1     3
  O     1.20577431 +1  126.7372139 +1  179.6843376 +1    11     2     1
  O     1.35781094 +1  110.8967887 +1  179.9792279 +1    11     2    12
  C     1.42461477 +1  115.8662889 +1  179.9485862 +1    13    11     2
  H     1.09814069 +1  120.9015620 +1  179.9877117 +1     1     2     3
  H     1.09513543 +1  119.5747769 +1  179.9947218 +1     3     2     4
  H     1.08915274 +1  119.9789741 +1 -179.9926275 +1     4     3     5
  H     1.09344721 +1  120.0910452 +1 -179.9868032 +1     5     4     6
  H     1.09548767 +1  110.1478202 +1   61.5516592 +1    10     9     7
  H     1.09543450 +1  110.2351800 +1 -122.0426866 +1    10     9    19
  H     1.09591196 +1  102.9376472 +1 -119.0074793 +1    10     9    20
  H     1.09520556 +1  110.1942178 +1   61.6029944 +1    14    13    11
  H     1.09516606 +1  110.2831774 +1 -122.1172202 +1    14    13    22
  H     1.09655288 +1  102.7715444 +1 -118.9708351 +1    14    13    23