Accuracy

1-(tert-butyldioxy)-3-propoxy-2-propanol   1394 1-(tert-Butyldioxy)-3-propoxy-2-propanol

(Previous)     (Back)     (Next)         Geometry predicted using PM7

    

    #  Species Formula
  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 phthalateC10H10O4
  1394 1-(tert-Butyldioxy)-3-propoxy-2-propanol C10H22O4
  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
  1404 1,4-Dihydroxy-9,10-anthracenedioneC14H8O4


ΔHf: -157.0 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-(tert-Butyldioxy)-3-propoxy-2-propanol
 H=-157.0 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52715014 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.52745817 +1  111.7224305 +1    0.0000000 +0     2     1     0
  C     1.53485879 +1  111.7899855 +1 -126.2213092 +1     2     1     3
  O     1.42994164 +1  110.3890821 +1 -111.7773308 +1     2     1     4
  O     1.44693242 +1  106.5170271 +1  -62.9536127 +1     5     2     1
  C     1.41126092 +1  105.3200628 +1  150.1807049 +1     6     5     2
  C     1.53347111 +1  110.5516595 +1  -73.5122529 +1     7     6     5
  O     1.41509899 +1  110.2847206 +1   73.7448366 +1     8     7     6
  C     1.53869302 +1  111.4582054 +1  116.1234683 +1     8     7     9
  O     1.41109622 +1  109.2610192 +1   69.7598131 +1    10     8     7
  C     1.41627325 +1  115.5002732 +1   84.2533570 +1    11    10     8
  C     1.53199047 +1  110.3507552 +1   79.7945253 +1    12    11    10
  C     1.52564643 +1  110.4050330 +1  173.5842224 +1    13    12    11
  H     1.09767980 +1  111.6053876 +1 -176.1930717 +1     1     2     3
  H     1.09720068 +1  111.0779367 +1  119.3828134 +1     1     2    15
  H     1.09446615 +1  111.4415069 +1  120.1162298 +1     1     2    16
  H     1.09702582 +1  111.2454259 +1   54.8667663 +1     3     2     1
  H     1.09708569 +1  110.9322996 +1  118.7771468 +1     3     2    18
  H     1.09382337 +1  111.7173348 +1  120.6997112 +1     3     2    19
  H     1.09607979 +1  111.6396220 +1  -54.8588405 +1     4     2     1
  H     1.09718390 +1  111.2184136 +1 -120.0519998 +1     4     2    21
  H     1.09513975 +1  110.6634629 +1 -119.8686298 +1     4     2    22
  H     1.10445393 +1  110.5119075 +1  124.3247423 +1     7     6     8
  H     1.10823356 +1  102.6568092 +1  116.0919027 +1     7     6    24
  H     1.11217548 +1  111.0330466 +1  125.2784749 +1     8     7    10
  H     0.98526735 +1  108.6932342 +1  -34.2712679 +1     9     8     7
  H     1.10283040 +1  110.9172674 +1  124.8667997 +1    10     8    11
  H     1.10576040 +1  112.1421368 +1  121.4898373 +1    10     8    28
  H     1.10709830 +1  101.7039654 +1  118.7169124 +1    12    11    13
  H     1.10182914 +1  111.2635144 +1  116.1681976 +1    12    11    30
  H     1.10741315 +1  109.4859586 +1 -122.0817993 +1    13    12    14
  H     1.10618791 +1  110.3111640 +1 -115.6407402 +1    13    12    32
  H     1.09605300 +1  111.6564593 +1   60.2322465 +1    14    13    12
  H     1.09609145 +1  111.6429542 +1 -120.5449235 +1    14    13    34
  H     1.09642561 +1  111.1657846 +1 -119.6528720 +1    14    13    35