Accuracy

1,1-ethanediol, 2-phenyl-, diacetate   1399 1,1-Ethanediol, 2-phenyl-, diacetate

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    #  Species Formula
  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
  1398 1-Butoxy-1-tert-butyldioxy-2-propanolC11H24O4
  1399 1,1-Ethanediol, 2-phenyl-, diacetate C12H14O4
  1400 Benzyl diacetateC12H14O4
  1401 Be(II)O4(2-) (YAMBOD) (Geo)H8BeC12O4
  1402 Be(II)O4(2-) (YAMBOD)H8BeC12O4
  1403 1,4,9,10-AnthracenetetroneC14H6O4
  1404 1,4-Dihydroxy-9,10-anthracenedioneC14H8O4
  1405 Diphenyl oxalateC14H10O4
  1406 Dimethyl naphthalene-2,6-dicarboxylateC14H12O4
  1407 Li(I)2(Cp)2O4 (DANPOX) (Geo)C16H26Li2O4
  1408 Li(I)2(Cp)2O4 (DANPOX)C16H26Li2O4
  1409 p-Diacetylbenzene diethyl ketalC18H30O4


ΔHf: -167.3 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
1,1-Ethanediol, 2-phenyl-, diacetate
 H=-167.3 HR=NIST
  C     0.00221493 +1   0.10004235 +1  -0.02235879 +1
  C     1.26612068 +1  -0.11487094 +1  -0.57674587 +1
  C     2.18468137 +1   0.93019060 +1  -0.64172347 +1
  C     1.84462228 +1   2.19163104 +1  -0.15482014 +1
  C     0.58546147 +1   2.40469684 +1   0.40349617 +1
  C    -0.33496140 +1   1.36127612 +1   0.47195644 +1
  C    -0.98353640 +1  -1.02178279 +1   0.04661393 +1
  C    -0.68625677 +1  -1.90714934 +1   1.26041658 +1
  O    -1.29455804 +1  -1.22948541 +1   2.36001568 +1
  O    -1.39209735 +1  -3.10901572 +1   1.05621707 +1
  C    -0.79754758 +1  -4.28453206 +1   1.46171531 +1
  C    -1.83680746 +1  -5.33556828 +1   1.60486509 +1
  O     0.39173963 +1  -4.37071222 +1   1.59024366 +1
  C    -1.53453195 +1  -1.90006251 +1   3.51260598 +1
  O    -1.27744884 +1  -3.06602812 +1   3.66566259 +1
  C    -2.14142981 +1  -0.97180147 +1   4.50884518 +1
  H     1.53568612 +1  -1.09906620 +1  -0.95619109 +1
  H     3.16942147 +1   0.75996673 +1  -1.07302495 +1
  H     2.56067430 +1   3.00818098 +1  -0.20893350 +1
  H     0.31999319 +1   3.38697203 +1   0.78826702 +1
  H    -1.31407958 +1   1.52741115 +1   0.91671905 +1
  H    -2.02912804 +1  -0.64824742 +1   0.10483065 +1
  H    -0.95601400 +1  -1.64458785 +1  -0.87416771 +1
  H     0.38593716 +1  -2.07093459 +1   1.49828442 +1
  H    -2.10362223 +1  -5.43661738 +1   2.67474251 +1
  H    -2.76255845 +1  -5.09561774 +1   1.06086773 +1
  H    -1.46981561 +1  -6.31300790 +1   1.25866807 +1
  H    -3.07499933 +1  -1.39445625 +1   4.91212659 +1
  H    -1.45555506 +1  -0.82045730 +1   5.35889478 +1
  H    -2.37008991 +1   0.01785222 +1   4.08367700 +1