Accuracy
1,1,2-trifluoro-2-chloroethyl dodecafluoroheptylether
1733 1,1,2-Trifluoro-2-chloroethyl dodecafluoroheptylether
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Geometry predicted using PM7
ΔHf: -810.7 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.
INT
1,1,2-Trifluoro-2-chloroethyl dodecafluoroheptylether
H=-810.684 HR=NIST
C 0.00000000 +1 0.00000000 +1 0.00000000 +1
C 1.55076212 +1 0.00000000 +1 0.00000000 +1
O 1.91915593 +1 1.33171103 +1 0.00000000 +1
C 3.27914922 +1 1.66110167 +1 0.18822643 +1
C 3.42473542 +1 2.05179181 +1 1.67286170 +1
C 4.76254850 +1 2.79756317 +1 2.01503857 +1
C 4.99327528 +1 3.04308157 +1 3.54298436 +1
C 6.17079491 +1 4.03058061 +1 3.85325471 +1
Cl -0.53758338 +1 -1.67643046 +1 -0.06891671 +1
F -0.41795542 +1 0.59575700 +1 -1.12415580 +1
F 2.05456719 +1 -0.66027716 +1 1.04204261 +1
F 2.07256439 +1 -0.62301897 +1 -1.05753927 +1
F 2.39828809 +1 2.81911303 +1 2.05174211 +1
F 3.31890595 +1 0.98141642 +1 2.46538674 +1
F 5.79714348 +1 2.11206634 +1 1.52317951 +1
F 4.80585305 +1 3.96259761 +1 1.36555293 +1
F 3.87579290 +1 3.50777560 +1 4.10262217 +1
F 5.20522809 +1 1.87416558 +1 4.14901137 +1
F 7.18744731 +1 3.79265718 +1 3.02370674 +1
F 5.78482731 +1 5.26975177 +1 3.54261721 +1
C 6.67172805 +1 3.98511312 +1 5.33536121 +1
F 5.65071163 +1 3.67470423 +1 6.13901879 +1
F 7.01650233 +1 5.21514972 +1 5.72382899 +1
C 7.86965099 +1 3.00728281 +1 5.60321834 +1
F 8.95663343 +1 3.50428098 +1 4.99885737 +1
F 7.64470087 +1 1.86311668 +1 4.94439761 +1
H -0.43484184 +1 0.49343100 +1 0.90975617 +1
H 3.41131773 +1 2.53565764 +1 -0.48937256 +1
H 3.98600027 +1 0.86729193 +1 -0.11627670 +1
H 8.05684720 +1 2.82092692 +1 6.70489879 +1