Accuracy

di-tert-butyl sulfide   1503 Di-tert-butyl sulfide

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    #  Species Formula
  1493 2-Methyl-2-pentanethiolC6H14S
  1494 Butyl ethyl sulfideC6H14S
  1495 2,3-Dimethyl-2-butanethiolC6H14S
  1496 Methyl pentyl sulfideC6H14S
  1497 Methyl phenyl sulfideC7H8S
  1498 ToluenethiolC7H8S
  1499 3(tert-Butyl)-1-propeneC7H14S
  1500 1-HeptanethiolC7H16S
  1501 Benzyl methyl sulfideC8H10S
  1502 Ethyl phenyl sulfideC8H10S
  1503 Di-tert-butyl sulfide C8H18S
  1504 Diisobutyl sulfideC8H18S
  1505 Diphenyl sulfideC12H10S
  1506 Sulfur nitride (Geo)NS
  1507 Sulfur nitrideNS
  1508 Hydrogen isothiocyanateHCNS
  1509 Methyl isothiocyanate (Geo)C2H3NS
  1510 Methyl isothiocyanateC2H3NS
  1511 Methyl thiocyanateC2H3NS
  1512 EthanethioamideC2H5NS
  1513 4-MethylthiazoleC4H5NS


ΔHf: -45.0 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-tert-butyl sulfide
 H=-45.05 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52408661 +1    0.0000000 +0    0.0000000 +0     1     0     0
  S     1.87546495 +1  112.4459913 +1    0.0000000 +0     2     1     0
  C     1.87312337 +1  112.1020072 +1   43.8152050 +1     3     2     1
  C     1.52657032 +1  109.9832351 +1  -79.5855793 +1     4     3     2
  C     1.52421812 +1  112.5467561 +1  123.9941474 +1     4     3     5
  C     1.53179111 +1  103.5976165 +1  118.5545751 +1     4     3     6
  C     1.52674898 +1  110.6078489 +1  123.1332690 +1     2     1     3
  C     1.53031038 +1  110.0926982 +1  121.8270495 +1     2     1     8
  H     1.09599091 +1  112.7380741 +1  -65.1258992 +1     1     2     3
  H     1.09813596 +1  112.0694793 +1  121.6116174 +1     1     2    10
  H     1.09862872 +1  110.6674736 +1  118.9994043 +1     1     2    11
  H     1.09541115 +1  112.6151648 +1   67.7209160 +1     5     4     3
  H     1.09827462 +1  112.1333198 +1 -120.8839676 +1     5     4    13
  H     1.09779266 +1  110.8685681 +1 -119.3736847 +1     5     4    14
  H     1.09813391 +1  112.0746747 +1   55.6259024 +1     6     4     3
  H     1.09588752 +1  112.7527478 +1 -121.8252490 +1     6     4    16
  H     1.09883355 +1  110.6515823 +1 -119.2946337 +1     6     4    17
  H     1.09818234 +1  112.3491411 +1  -61.9829864 +1     7     4     3
  H     1.09820251 +1  112.5196191 +1  121.2242881 +1     7     4    19
  H     1.09751278 +1  110.6262696 +1  119.3316057 +1     7     4    20
  H     1.09839984 +1  112.1290436 +1 -176.7997338 +1     8     2     1
  H     1.09553030 +1  112.5756154 +1  120.7461087 +1     8     2    22
  H     1.09757974 +1  110.9025095 +1  119.8244580 +1     8     2    23
  H     1.09845833 +1  112.5323049 +1  178.7616439 +1     9     2     1
  H     1.09826503 +1  112.3923587 +1 -121.2016708 +1     9     2    25
  H     1.09767195 +1  110.6684967 +1 -119.4416251 +1     9     2    26