1,3 Diphenylisobenzofuran

• Formula: C₂₀H₁₄O
• Molecular weight: 270.3246
• IUPAC Standard InChI: InChI=1S/C20H14O/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(21-19)16-11-5-2-6-12-16/h1-14H Copy

  
• IUPAC Standard InChIKey: ZKSVYBRJSMBDMV-UHFFFAOYSA-N Copy
• CAS Registry Number: 5471-63-6
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Other names: Diphenylisobenzofuran; 1,4-Diphenyl-2,3-benzofuran; Isobenzofuran, 1,3-diphenyl-; 1,3-Diphenylbenzo[c]furan
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • References
  • Notes
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Gas phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Condensed phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Phase change data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.

Reaction thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

 +  = C₂₃H₁₇NO

By formula: C₃H₃N + C₂₀H₁₄O = C₂₃H₁₇NO

 +  = C₂₆H₂₂O₅

By formula: C₂₀H₁₄O + C₆H₈O₄ = C₂₆H₂₂O₅

 +  = C₃₁H₂₃NO₃

By formula: C₁₁H₉NO₂ + C₂₀H₁₄O = C₃₁H₂₃NO₃

 +  = C₃₀H₂₀N₂O₅

By formula: C₁₀H₆N₂O₄ + C₂₀H₁₄O = C₃₀H₂₀N₂O₅

 +  = C₂₄H₁₆N₂O

By formula: C₂₀H₁₄O + C₄H₂N₂ = C₂₄H₁₆N₂O

 +  = C₃₀H₂₀BrNO₃

By formula: C₁₀H₆BrNO₂ + C₂₀H₁₄O = C₃₀H₂₀BrNO₃

 +  = C₃₁H₂₃NO₄

By formula: C₁₁H₉NO₃ + C₂₀H₁₄O = C₃₁H₂₃NO₄

 +  =

By formula: C₂₀H₁₄O + C₁₀H₇NO₂ = C₃₀H₂₁NO₃

 +  = C₂₄H₁₈O₃

By formula: C₂₀H₁₄O + C₄H₄O₂ = C₂₄H₁₈O₃

 +  = C₂₃H₁₇NO

By formula: C₃HN + C₂₀H₁₄O = C₂₃H₁₇NO

 +  = C₂₄H₁₆N₂O

By formula: C₄N₂ + C₂₀H₁₄O = C₂₄H₁₆N₂O

 +  = C₂₈H₁₄Cl₄N₂O₅

By formula: C₂₀H₁₄O + C₈Cl₄N₂O₄ = C₂₈H₁₄Cl₄N₂O₅

 +  = C₄₀H₂₆N₂O₆

By formula: C₂₀H₁₂N₂O₅ + C₂₀H₁₄O = C₄₀H₂₆N₂O₆

 +  = C₄₁H₂₈N₂O₅

By formula: C₂₁H₁₄N₂O₄ + C₂₀H₁₄O = C₄₁H₂₈N₂O₅

Mass spectrum (electron ionization)

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

UV/Visible spectrum

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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Additional Data

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Hussein and Akasheh, 1985
Hussein, A.; Akasheh, T.S., Heat of combustion of heterocyclic compounds. Part II., Dirasat - Univ. Jordan, 1985, 12, 65-72. [all data]

Samuilov, Nurullina, et al., 1983
Samuilov, Ya.D.; Nurullina, R.L.; Konovalov, A.I., Thermochemical and kinetic study of the Diels-Alder reaction with ethylene and acetylene dienophiles, Zh. Org. Khim., 1983, 19, 1431-1435. [all data]

Kiselev, Ustyugov, et al., 1977
Kiselev, V.D.; Ustyugov, A.N.; Breus, I.P.; Konovalov, A.I., Kinetic and thermochemical study of the Diels-Alder reaction, Dokl. Phys. Chem. (Engl. Transl.), 1977, 234, 320-322, In original 1089. [all data]

Kiselev, Mavrin, et al., 1980
Kiselev, V.D.; Mavrin, G.V.; Konovalov, A.I., Kinetic and thermochemical study of the Diels-Alder reaction of 1,3-diphenylisobenzofuran with p-benzoquinone and 1,4-naphthoquinone, Deposited Document, SPSTL 10 Khp-D₈₀. Chem Abst. 96:141976a, 1980, 1-6. [all data]

Adigezalov, Kiselev, et al., 1991
Adigezalov, N.R.; Kiselev, V.D.; Konovalov, A.I., Bis-reagents in Diels-Alder reactions. V. Kinetics and thermochemistry of reactions of N,N'-bis(dichloromaleimides) with 1,3-diphenylisobenzofuran, Zh. Org. Khim., 1991, 27, 1774-1779. [all data]

Shellum and Birks, 1987
Shellum, C.L.; Birks, J.W., Anal. Chem., 1987, 59, 1834. [all data]

Notes

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• Symbols used in this document:
  

  ΔcH°solid	Enthalpy of combustion of solid at standard conditions
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔfH°solid	Enthalpy of formation of solid at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔsubH°	Enthalpy of sublimation at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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