PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

2,2-diacetoxypropane   1388 2,2-Diacetoxypropane

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  1378 (C2H4)BO4H2, anion (Geo)H6BC2O4
  1379 1,4-Dioxan-2,5-dioneC4H4O4
  1380 Dimethyl oxalateC4H6O4
  1381 1,3,5,7-TetroxaneC4H8O4
  1382 Dimethyl malonateC5H8O4
  1383 Ethylmalonic acidC5H8O4
  1384 Methylene diacetateC5H8O4
  1385 TetramethoxymethaneC5H12O4
  1386 1,1-DiacetoxyethaneC6H10O4
  1387 Dimethyl methylmalonateC6H10O4
  1388 2,2-Diacetoxypropane C7H12O4
  1389 Diethyl malonateC7H12O4
  1390 Dimethyl dimethylmalonateC7H12O4
  1391 3,5,7,9-TetraoxyundecaneC7H16O4
  1392 12-Crown-4C8H16O4
  1393 5,8-Dihydroxy-1,4-naphthalenedioneC10H6O4
  1394 Dimethyl isophthalateC10H10O4
  1395 Dimethyl phthalateC10H10O4
  1396 1-(tert-Butyldioxy)-3-propoxy-2-propanolC10H22O4
  1397 Be(II)O4 (ACACBE02) (Geo)H14BeC10O4
  1398 Be(II)O4 (ACACBE02)H14BeC10O4


ΔHf: -199.3 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
2,2-Diacetoxypropane
 HR=NIST H=-199.3
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.51402722 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.51382097 +1  117.0881004 +1    0.0000000 +0     2     1     0
  O     1.44138591 +1  110.0573320 +1  126.6470317 +1     2     1     3
  C     1.35212772 +1  120.0602884 +1  -65.2696763 +1     4     2     1
  O     1.20294983 +1  123.6461313 +1   -0.0718353 +1     5     4     2
  C     1.49147450 +1  108.7632681 +1  179.9948598 +1     5     4     6
  O     1.44128172 +1  110.0623223 +1  106.6426220 +1     2     1     4
  C     1.35212922 +1  120.1168235 +1   64.9912299 +1     8     2     1
  O     1.20321439 +1  123.6617780 +1    0.0667896 +1     9     8     2
  C     1.49154567 +1  108.7604810 +1 -179.9873561 +1     9     8    10
  H     1.10116472 +1  111.2557700 +1   59.3521347 +1     1     2     3
  H     1.09678613 +1  111.5204678 +1  120.3345639 +1     1     2    12
  H     1.10111589 +1  111.2732637 +1  120.3423100 +1     1     2    13
  H     1.09692004 +1  111.5001029 +1  179.5720992 +1     3     2     1
  H     1.10105737 +1  111.2532380 +1  120.3498196 +1     3     2    15
  H     1.10115634 +1  111.2344981 +1  119.3461426 +1     3     2    16
  H     1.10176780 +1  111.3117716 +1  -59.2682874 +1     7     5     4
  H     1.10170231 +1  111.3197648 +1  118.7970201 +1     7     5    18
  H     1.10080851 +1  110.8492756 +1  120.6213257 +1     7     5    19
  H     1.10177369 +1  111.3164395 +1  -59.1262989 +1    11     9     8
  H     1.10168541 +1  111.3112760 +1  118.8003796 +1    11     9    21
  H     1.10078883 +1  110.8526181 +1  120.6134797 +1    11     9    22