Chemical Properties of Benzo[c]thiophene, 1,3,3a,4,7,7a-hexahydro- (CAS 74601-20-0)

Benzo[c]thiophene, 1,3,3a,4,7,7a-hexahydro-

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InChI
InChI=1S/C8H12S/c1-2-4-8-6-9-5-7(8)3-1/h1-2,7-8H,3-6H2
InChI Key
ASTZLIXTXJMRFI-UHFFFAOYSA-N
Formula
C8H12S
SMILES
C1=CCC2CSCC2C1
Molecular Weight1
140.25
CAS
74601-20-0
Other Names
  • 8-Thiabicyclo[4.3.0]non-3-ene
Sources

Physical Properties

Property Value Unit Source
Δf 171.50 kJ/mol Joback Calculated Property
Δfgas 21.71 kJ/mol Joback Calculated Property
Δfus 11.32 kJ/mol Joback Calculated Property
Δvap 39.85 kJ/mol Joback Calculated Property
IE 8.00 eV NIST
IE 8.22 eV NIST
logPoct/wat 2.32 Crippen Calculated Property
Pc 3805.69 kPa Joback Calculated Property
Tboil 455.72 K Joback Calculated Property
Tc 693.67 K Joback Calculated Property
Tfus 289.45 K Joback Calculated Property
Vc 0.41 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 233.16 J/mol×K 455.72 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- (ring) 2
-S- (ring) 1
-CH2- (ring) 4
=CH- (ring) 2

Similar Compounds

8-Methylene-trans-3-thiabicyclo[4.4.0]decane. 8-Methylene-cis-3-thiabicyclo[4.4.0]decane. Thiophane, 3-pentyl-. Trans-3,4-dimethylthiane. Cis-3,4-dimethylthiane. Cyclohexene, 1-methyl-4-[1-methyl-1,2-bis-(methylthio)ethyl]. 1- p-menth-1-ene-8-thiol. 3-Ethylthiolane. 3-Ethylthiane. 2,3,4-Trimethylthiolane. Cyclohexene, 4-(1-methylethyl). Cis-bicyclo[4.3.0]-3-nonene. cis-3,4-dimethyl-thiacyclopentane. 3,4-Dimethylthiolane. trans-3,4-dimethyl-thiacyclopentane.

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