Accuracy

1-chloro-4-ethylbenzene   2358 1-Chloro-4-ethylbenzene

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

    

    #  Species Formula
  2348 1-Chloro-2-methylpropaneC4H9Cl
  2349 2-Chloro-2-methylpropaneC4H9Cl
  2350 2-Chloro-2-methylpropane (Geo)C4H9Cl
  2351 1-ChloropentaneC5H11Cl
  2352 Be(II)(Cp)Cl (JEFKIO) (Geo)H5BeC5Cl
  2353 Be(II)(Cp)Cl (JEFKIO)H5BeC5Cl
  2354 Cyclo C5H5 beryllium chloride (Geo)H5BeC5Cl
  2355 ChlorobenzeneC6H5Cl
  2356 Chlorobenzene (Geo)C6H5Cl
  2357 Benzyl chlorideC7H7Cl
  2358 1-Chloro-4-ethylbenzene C8H9Cl
  2359 1-ChloronaphthaleneC10H7Cl
  2360 2-ChloronaphthaleneC10H7Cl
  2361 Cyanogen Chloride (Geo)CNCl
  2362 Cyanogen chlorideCNCl
  2363 Cyanogen chloride (Geo)CNCl
  2364 3-Chloro-4-methylanilineC7H8NCl
  2365 Be(II)N3Cl(+) (VALHEW) (Geo)H27BeC12N3Cl
  2366 Li(I)N3Cl (GAJYAR) (Geo)H27LiC21N3Cl
  2367 Li(I)N3Cl (GAJYAR)H27LiC21N3Cl
  2368 Chlorine oxideOCl


ΔHf: -0.9 kcal/mol,     REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
  
 PM7
1-Chloro-4-ethylbenzene
 H=-0.9 HR=WHSMC03
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39563902 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39516952 +1  120.5238435 +1    0.0000000 +0     2     1     0
  C     1.38648181 +1  118.4815636 +1   -0.0239494 +1     3     2     1
  C     1.38950892 +1  122.5251534 +1   -0.0173655 +1     4     3     2
  C     1.39084471 +1  118.2943546 +1    0.0123270 +1     5     4     3
  C     1.49959724 +1  122.9291909 +1 -179.9837489 +1     1     2     3
  C     1.52736563 +1  115.0791616 +1   -0.0646357 +1     7     1     2
 Cl     1.71217217 +1  118.7907584 +1  179.9967721 +1     4     3     5
  H     1.08899240 +1  120.4893244 +1  179.9845411 +1     2     1     3
  H     1.08969900 +1  120.2000683 +1 -179.9992673 +1     3     2     4
  H     1.08967098 +1  121.2114600 +1 -179.9963529 +1     5     4     6
  H     1.08900713 +1  119.5409621 +1 -179.9973853 +1     6     5     4
  H     1.11314892 +1  108.9724245 +1  122.8536429 +1     7     1     8
  H     1.11320322 +1  108.9584258 +1  114.3433140 +1     7     1    14
  H     1.09658050 +1  111.6436815 +1  -60.4855522 +1     8     7     1
  H     1.09658746 +1  111.6542143 +1  121.0290485 +1     8     7    16
  H     1.09678351 +1  110.9374233 +1  119.4851220 +1     8     7    17