Accuracy
di-n-butyl sulfate
1582 Di-n-butyl sulfate
(Previous)
(Back)
(Next)
Geometry predicted using PM7
ΔHf: -198.1 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.
Di-n-butyl sulfate
H=-198.1 HR=NIST
C 0.04340827 +1 -0.08128017 +1 0.03897051 +1
S 2.45265967 +1 0.93772504 +1 -0.51227631 +1
C 2.28073966 +1 3.55717595 +1 0.03487350 +1
O 3.67540626 +1 1.03458371 +1 0.23193653 +1
O 2.34539083 +1 0.23587203 +1 -1.75827602 +1
C -0.99773606 +1 0.98343391 +1 0.38609470 +1
C 1.00263514 +1 4.18902399 +1 0.59067815 +1
O 1.30833243 +1 0.34864011 +1 0.51351851 +1
O 1.87799801 +1 2.45825969 +1 -0.76824034 +1
C -1.14285743 +1 1.12133641 +1 1.90654148 +1
C 0.13159352 +1 4.73472779 +1 -0.54704451 +1
C -2.19785000 +1 2.16402689 +1 2.27096288 +1
C -1.17724682 +1 5.31598658 +1 -0.01638289 +1
H -0.11757431 +1 -1.02198733 +1 0.60558179 +1
H 0.06467669 +1 -0.31131508 +1 -1.04309983 +1
H 2.80651760 +1 4.22904523 +1 -0.67327987 +1
H 2.97691009 +1 3.25589572 +1 0.84019518 +1
H -0.71270981 +1 1.95918786 +1 -0.05852588 +1
H -1.96890762 +1 0.72025132 +1 -0.07210000 +1
H 1.26244534 +1 4.99632696 +1 1.29985358 +1
H 0.43421783 +1 3.43872837 +1 1.17680192 +1
H -0.16250390 +1 1.39101564 +1 2.34988540 +1
H -1.40972696 +1 0.14482097 +1 2.35361847 +1
H -0.07715725 +1 3.92519616 +1 -1.27660402 +1
H 0.68661530 +1 5.50657069 +1 -1.11337298 +1
H -2.32117193 +1 2.24189532 +1 3.35725134 +1
H -3.17603907 +1 1.90980638 +1 1.84754040 +1
H -1.92614991 +1 3.15968236 +1 1.90152720 +1
H -1.75951447 +1 5.77621241 +1 -0.82355084 +1
H -0.99967244 +1 6.08768969 +1 0.74093884 +1
H -1.80572456 +1 4.54224791 +1 0.43978271 +1