Chemical Properties of Bi-2,4,6-cycloheptatrien-1-yl (CAS 831-18-5)

Bi-2,4,6-cycloheptatrien-1-yl

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InChI
InChI=1S/C14H14/c1-2-6-10-13(9-5-1)14-11-7-3-4-8-12-14/h1-14H
InChI Key
DMVKBMNNLFFZBY-UHFFFAOYSA-N
Formula
C14H14
SMILES
C1=CC=CC(C2C=CC=CC=C2)C=C1
Molecular Weight1
182.26
CAS
831-18-5
Other Names
  • 7,7'-Bicycloheptatrienyl
  • 7,7'-Bis(cycloheptatrienyl)
  • 7,7'-Ditropyl
  • Bitropenyl
  • Heptafulvalene, dihydro-
Sources

Physical Properties

Property Value Unit Source
Δf 271.46 kJ/mol Joback Calculated Property
Δfgas 110.71 kJ/mol Joback Calculated Property
Δfus 18.82 kJ/mol Joback Calculated Property
Δvap 49.71 kJ/mol Joback Calculated Property
logPoct/wat 3.583 Crippen Calculated Property
Pc 2811.36 kPa Joback Calculated Property
Tboil 562.32 K Joback Calculated Property
Tc 818.01 K Joback Calculated Property
Tfus 334.00 ± 1.50 K NIST
Vc 0.586 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 376.84 J/mol×K 562.32 Joback Calculated Property
η 0.0001443 Pa×s 562.32 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- (ring) 2
=CH- (ring) 12

Similar Compounds

7,7'-bis(Cycloheptatrienyl). 1,3,5-Cycloheptatriene, 7-ethyl-. 1,3-Cyclohexadiene, 5,6-dimethyl-. 6-[(Z)-1-butenyl]-1,4-cycloheptadiene. Cyclohexene, 3-(1-heptenyl)-4-(1,3-nonadienyl)-. cis-3-Isopropylhexa-1,4-diene. [4.2.2]PROPELLA-2,4,7,9-TETRAENE. Bicyclo[4.4.1]undeca-1,3,5,8-tetralene. trans Bicyclo[6.1.0]nona-2,4,6-triene. 2,6-Octadiene, 4,5-dimethyl-. 1,3-Cyclohexadiene, 6-methyl. 1,3-Cyclopentadiene, 5-(1,1-dimethylethyl)-. (E,Z,Z)-1,5,9-Cyclododecatriene, 3-methyl. 2,6-Dimethyl 2,4-octadiene. 1,5-Cyclooctadiene, 3,4-dimethyl-.

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