Accuracy

3,3-diethylpentane    272 3,3-Diethylpentane

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

   

    #  Species Formula
   262 3-Ethyl-3-methyl pentaneC8H18
   263 3-Methyl heptaneC8H18
   264 4-Methyl heptaneC8H18
   265 n-OctaneC8H18
   266 Li(I)4(Et)4 (ETHYLI) (Geo)C8H20Li4
   267 Li(I)4(Et)4 (ETHYLI)C8H20Li4
   268 alpha-Methyl styreneC9H10
   269 Cyclopropyl benzeneC9H10
   270 1,3,5-Trimethyl cyclohexaneC9H18
   271 cis-cis-trans-1,3,5-Trimethyl cyclohexaneC9H18
   272 3,3-Diethylpentane C9H20
   273 n-NonaneC9H20
   274 Tri-isopropylboraneH21BC9
   275 TripropylboraneH21BC9
   276 AzuleneC10H8
   277 Naphthalene (Geo)C10H8
   278 NaphthaleneC10H8
   279 1,4-Dicyclopropylbuta-1,3-diyneC10H10
   280 1-Butynl benzeneC10H10
   281 2a,4a,6a,6b-TetrahydrocyclopentapentaleneC10H10
   282 BulvaleneC10H10


ΔHf: -55.4 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 SYMMETRY PM7
3,3-Diethylpentane
 H=-55.41,0.44 HR=C&P1970
 
  C    -0.06302757 +1   0.03178139 +1   0.03108197 +1
  C     1.46558728 +1   0.01554531 +1   0.03851511 +1
  C     2.12173751 +1   1.41867365 +1   0.07845612 +1
  C     3.65321626 +1   1.24123968 +1   0.22787345 +1
  C     4.32602058 +1   0.54752771 +1  -0.95666557 +1
  C     1.59932908 +1   2.24934294 +1   1.27684586 +1
  C     1.79464016 +1   1.58473937 +1   2.63969585 +1
  C     1.76922460 +1   2.16401479 +1  -1.23286249 +1
  C     2.43650289 +1   3.53090050 +1  -1.38797016 +1
  H     5.40470305 +1   0.45036562 +1  -0.79008293 +1
  H     4.18683212 +1   1.11037817 +1  -1.88657179 +1
  H     3.92681072 +1  -0.45980675 +1  -1.11693269 +1
  H     3.86156743 +1   0.66611541 +1   1.15092768 +1
  H     4.11826170 +1   2.23311138 +1   0.38591407 +1
  H     1.82308217 +1  -0.57548791 +1   0.90350993 +1
  H     1.82746234 +1  -0.52562499 +1  -0.85727944 +1
  H    -0.46270748 +1  -0.98855204 +1   0.01715527 +1
  H    -0.45994143 +1   0.55097635 +1  -0.84728668 +1
  H    -0.46660016 +1   0.52979386 +1   0.91978042 +1
  H     1.36543353 +1   2.20007870 +1   3.43824753 +1
  H     2.85484339 +1   1.43921814 +1   2.87207398 +1
  H     1.30785561 +1   0.60405800 +1   2.68447700 +1
  H     0.52423316 +1   2.46555827 +1   1.12444856 +1
  H     2.10256221 +1   3.23567321 +1   1.27927046 +1
  H     2.17988923 +1   3.97807090 +1  -2.35527837 +1
  H     3.52862073 +1   3.45727127 +1  -1.33944806 +1
  H     2.11631120 +1   4.23015461 +1  -0.60869189 +1
  H     0.67079640 +1   2.28949361 +1  -1.29240891 +1
  H     2.04121566 +1   1.52495161 +1  -2.09536536 +1