Chemical Properties of Benzocyclobuten-1(2H)-one (CAS 3469-06-5)

Benzocyclobuten-1(2H)-one

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InChI
InChI=1S/C8H6O/c9-8-5-6-3-1-2-4-7(6)8/h1-4H,5H2
InChI Key
XOGFXHMYHKGOGP-UHFFFAOYSA-N
Formula
C8H6O
SMILES
O=C1Cc2ccccc21
Molecular Weight1
118.13
CAS
3469-06-5
Other Names
  • Benzocyclobutenone
  • Bicyclo(4.2.0)octa-1,3,5-trien-7-one
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Physical Properties

Property Value Unit Source
Δf 77.23 kJ/mol Joback Calculated Property
Δfgas -21.79 kJ/mol Joback Calculated Property
Δfus 8.80 kJ/mol Joback Calculated Property
Δvap 40.64 kJ/mol Joback Calculated Property
IE 8.99 eV NIST
log10WS -1.99 Crippen Calculated Property
logPoct/wat 1.425 Crippen Calculated Property
McVol 90.530 ml/mol McGowan Calculated Property
Pc 4462.28 kPa Joback Calculated Property
Tboil 489.06 K Joback Calculated Property
Tc 729.56 K Joback Calculated Property
Tfus 312.78 K Joback Calculated Property
Vc 0.348 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [182.99; 239.97] J/mol×K [489.06; 729.56] Show Hide
Cp,gas 182.99 J/mol×K 489.06 Joback Calculated Property
Cp,gas 194.32 J/mol×K 529.14 Joback Calculated Property
Cp,gas 204.85 J/mol×K 569.23 Joback Calculated Property
Cp,gas 214.63 J/mol×K 609.31 Joback Calculated Property
Cp,gas 223.71 J/mol×K 649.39 Joback Calculated Property
Cp,gas 232.14 J/mol×K 689.48 Joback Calculated Property
Cp,gas 239.97 J/mol×K 729.56 Joback Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 344.50 ± 0.50 K 0.30 NIST

Similar Compounds

Ethanone, 1,2-diphenyl-. 4-Bromodesoxybenzoin. 1(2H)-Acenaphthylenone. Alpha,alpha-diphenyl acetophenone. Ethanone, 1-(4-hydroxyphenyl)-2-phenyl-. Desoxyanisoin. 2'-Ethylacetophenone. 2-ethylacetophenone. Bicyclo[4.2.0]octa-1,3,5-triene. 5-Bromoacenaphthenone-2. Ethanedione, 1,2-bis(2-methylphenyl)-. Ethanone, 1-[4-(2-phenylethyl)phenyl]-. Ethanone, 1-(2-methylphenyl)-. Ethanone, 2-bromo-1,2-diphenyl-. Phenindione.

Find more compounds similar to Benzocyclobuten-1(2H)-one.

Sources

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