Accuracy

ethyl cyclopentane    216 Ethyl cyclopentane

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

    

    #  Species Formula
   206 TolueneC7H8
   207 1,2-Dimethyl cyclopenteneC7H12
   208 1-Ethyl cyclopenteneC7H12
   209 1-Methyl cyclohexeneC7H12
   210 NorbornaneC7H12
   211 1,1-Dimethyl cyclopentaneC7H14
   212 1,2-cis-Dimethyl cyclopentaneC7H14
   213 1,2-trans-Dimethyl cyclopentaneC7H14
   214 1,3-cis-Dimethyl cyclopentaneC7H14
   215 1-HepteneC7H14
   216 Ethyl cyclopentane C7H14
   217 Methyl-cyclohexaneC7H14
   218 2,2,3-Trimethyl butaneC7H16
   219 2,2-Dimethyl pentaneC7H16
   220 2,3-Dimethyl pentaneC7H16
   221 2,4-Dimethyl pentaneC7H16
   222 2-Methyl hexaneC7H16
   223 3,3-Dimethyl pentaneC7H16
   224 3-Ethyl pentaneC7H16
   225 3-Methyl hexaneC7H16
   226 n-HeptaneC7H16


ΔHf: -30.4 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
Ethyl cyclopentane
 H=-30.37 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.54319366 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.54031935 +1  106.2720367 +1    0.0000000 +0     2     1     0
  C     1.54215206 +1  107.1536401 +1  -12.3071511 +1     3     2     1
  C     1.54294294 +1  104.6313927 +1   27.5841043 +1     1     2     3
  C     1.53277299 +1  112.9153031 +1  121.6286850 +1     1     2     5
  C     1.52938525 +1  111.3977638 +1   69.3926692 +1     6     1     2
  H     1.11318846 +1  109.2316477 +1  121.6980426 +1     1     2     6
  H     1.10259289 +1  110.6647965 +1 -120.0660216 +1     2     1     3
  H     1.09966336 +1  111.3493510 +1 -118.0197608 +1     2     1     9
  H     1.10142053 +1  110.8053853 +1 -121.2667929 +1     3     2     4
  H     1.10173592 +1  110.9548810 +1 -117.7455627 +1     3     2    11
  H     1.10050103 +1  111.4756577 +1 -129.5222869 +1     4     3     2
  H     1.10257892 +1  110.5680148 +1 -118.0782850 +1     4     3    13
  H     1.09914383 +1  111.7476831 +1 -154.2007055 +1     5     1     2
  H     1.10265966 +1  110.8084036 +1 -118.7185796 +1     5     1    15
  H     1.10682766 +1  109.6299673 +1  121.5432966 +1     6     1     7
  H     1.10620355 +1  110.2610317 +1  116.0426541 +1     6     1    17
  H     1.09577385 +1  111.3502101 +1  -59.5815983 +1     7     6     1
  H     1.09566584 +1  111.3957185 +1  119.9604645 +1     7     6    19
  H     1.09523883 +1  111.2761268 +1  120.0415883 +1     7     6    20