Accuracy

1,1-dibutoxypropane   1193 1,1-Dibutoxypropane

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    #  Species Formula
  1183 Ethyl octanoateC10H20O2
  1184 1,10-DecanediolC10H22O2
  1185 1-Naphthoic acidC11H8O2
  1186 Isonaphthoic acidC11H8O2
  1187 2,3,4,5-Tetramethylbenzoic acidC11H14O2
  1188 2,3,4,6-Tetramethylbenzoic acidC11H14O2
  1189 2,3,5,6-Tetramethylbenzoic acidC11H14O2
  1190 p-tert-Butyl benzoic acidC11H14O2
  1191 Oxacyclododecan-2-oneC11H20O2
  1192 Ethyl nonanoateC11H22O2
  1193 1,1-Dibutoxypropane C11H24O2
  1194 5,5-Dimethyl-2-phenyl-1,3-dioxaneC12H16O2
  1195 Pentamethylbenzoic acidC12H16O2
  1196 2,2,6,6-Tetramethyl-3,5-heptanedioneC12H22O2
  1197 Ethyl decanoateC12H24O2
  1198 XanthoneC13H8O2
  1199 Phenyl benzoateC13H10O2
  1200 9,10-AnthroquinoneC14H8O2
  1201 9,10-PhenanthroquinoneC14H8O2
  1202 Nitrogen dioxide, cationNO2
  1203 Nitrogen dioxideNO2


ΔHf: -132.1 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-Dibutoxypropane
 H=-132.1 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52877600 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53124620 +1  110.7283297 +1    0.0000000 +0     2     1     0
  C     1.53299206 +1  110.4029443 +1 -177.1998457 +1     3     2     1
  O     1.41823387 +1  104.5181877 +1  177.2295919 +1     4     3     2
  C     1.40826222 +1  116.8862964 +1  149.1792021 +1     5     4     3
  O     1.40929745 +1  110.7441416 +1   88.0110412 +1     6     5     4
  C     1.41781096 +1  116.5212816 +1  -72.0240051 +1     7     6     5
  C     1.53277538 +1  104.5264866 +1 -152.9453512 +1     8     7     6
  C     1.53143025 +1  110.3358147 +1 -178.0140416 +1     9     8     7
  C     1.52876187 +1  110.7227598 +1  179.1379433 +1    10     9     8
  C     1.53662006 +1  104.5355642 +1  111.2910891 +1     6     5     7
  C     1.52349453 +1  110.9246930 +1  112.4263866 +1    12     6     5
  H     1.09618501 +1  111.4092427 +1   60.0153401 +1     1     2     3
  H     1.09588437 +1  111.4506799 +1 -119.9553695 +1     1     2    14
  H     1.09531355 +1  111.3210763 +1 -120.0500202 +1     1     2    15
  H     1.10711231 +1  109.7429667 +1 -121.7880293 +1     2     1     3
  H     1.10646984 +1  109.9184690 +1 -116.2174380 +1     2     1    17
  H     1.10775662 +1  110.8123714 +1  121.3888350 +1     3     2     4
  H     1.10587798 +1  110.9351046 +1  116.5517192 +1     3     2    19
  H     1.10473790 +1  111.7257722 +1 -115.7976619 +1     4     3     5
  H     1.10243955 +1  111.7524399 +1 -123.3660700 +1     4     3    21
  H     1.10728063 +1  111.4169175 +1  125.4704567 +1     6     5    12
  H     1.10515053 +1  107.2551947 +1 -118.9417614 +1     8     7     9
  H     1.10202348 +1  111.3299005 +1 -120.2395362 +1     8     7    24
  H     1.10750096 +1  109.4886122 +1  122.1744029 +1     9     8    10
  H     1.10592828 +1  109.9148062 +1  115.2169285 +1     9     8    26
  H     1.10705729 +1  110.0984800 +1 -121.6234728 +1    10     9    11
  H     1.10644495 +1  110.2009494 +1 -116.6078646 +1    10     9    28
  H     1.09624792 +1  111.3771033 +1  -60.1053554 +1    11    10     9
  H     1.09576816 +1  111.4869263 +1  119.9644238 +1    11    10    30
  H     1.09531706 +1  111.3089843 +1  120.0740871 +1    11    10    31
  H     1.11027815 +1  109.3589679 +1  122.6379230 +1    12     6    13
  H     1.11035963 +1  109.3023507 +1  114.7845242 +1    12     6    33
  H     1.09627477 +1  111.7235467 +1   59.6191189 +1    13    12     6
  H     1.09671986 +1  111.4890123 +1 -120.7091312 +1    13    12    35
  H     1.09686060 +1  111.0279952 +1 -119.5383188 +1    13    12    36