1,3 Diphenylisobenzofuran
- Formula: C20H14O
- Molecular weight: 270.3246
- IUPAC Standard InChIKey: ZKSVYBRJSMBDMV-UHFFFAOYSA-N
- 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:
- Other data available:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Gas phase thermochemistry data
Go To: Top, Reaction thermochemistry data, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 203. ± 10. | kJ/mol | Ccb | Hussein and Akasheh, 1985 |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -87. | kJ/mol | Kin | Samuilov, Nurullina, et al., 1983 | liquid phase; solvent: Dichloroethane; Unpublished results |
ΔrH° | -87.4 ± 0.8 | kJ/mol | Cm | Kiselev, Ustyugov, et al., 1977 | liquid phase; solvent: 1,2-Dichloroethane |
+ = C26H22O5
By formula: C20H14O + C6H8O4 = C26H22O5
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -62. | kJ/mol | Kin | Samuilov, Nurullina, et al., 1983 | liquid phase; solvent: Dichloroethane |
ΔrH° | -62. | kJ/mol | Kin | Samuilov, Nurullina, et al., 1983 | liquid phase; solvent: Nonaquous |
+ = C31H23NO3
By formula: C11H9NO2 + C20H14O = C31H23NO3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -98.4 | kJ/mol | Cm | Kiselev, Mavrin, et al., 1980 | solid phase |
ΔrH° | -98.41 ± 0.67 | kJ/mol | Cm | Kiselev, Ustyugov, et al., 1977 | liquid phase; solvent: Dioxane |
+ = C30H20N2O5
By formula: C10H6N2O4 + C20H14O = C30H20N2O5
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -96.4 | kJ/mol | Cm | Kiselev, Mavrin, et al., 1980 | solid phase |
ΔrH° | -96.36 ± 0.59 | kJ/mol | Cm | Kiselev, Ustyugov, et al., 1977 | liquid phase; solvent: Dioxane |
+ = C24H16N2O
By formula: C20H14O + C4H2N2 = C24H16N2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -82. | kJ/mol | Kin | Samuilov, Nurullina, et al., 1983 | liquid phase; solvent: Dichloroethane; Unpublished results |
+ = C30H20BrNO3
By formula: C10H6BrNO2 + C20H14O = C30H20BrNO3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -97.45 ± 0.63 | kJ/mol | Cm | Kiselev, Ustyugov, et al., 1977 | liquid phase; solvent: Dioxane |
+ = C31H23NO4
By formula: C11H9NO3 + C20H14O = C31H23NO4
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -99.1 ± 0.4 | kJ/mol | Cm | Kiselev, Ustyugov, et al., 1977 | liquid phase; solvent: Dioxane |
By formula: C20H14O + C10H7NO2 = C30H21NO3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -98.32 ± 0.75 | kJ/mol | Cm | Kiselev, Ustyugov, et al., 1977 | liquid phase; solvent: Dioxane |
+ = C24H18O3
By formula: C20H14O + C4H4O2 = C24H18O3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -123. | kJ/mol | Kin | Samuilov, Nurullina, et al., 1983 | liquid phase; solvent: Dichloroethane |
+ = C23H17NO
By formula: C3HN + C20H14O = C23H17NO
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -117. | kJ/mol | Kin | Samuilov, Nurullina, et al., 1983 | liquid phase; solvent: Nonaquous |
+ = C24H16N2O
By formula: C4N2 + C20H14O = C24H16N2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -129. | kJ/mol | Kin | Samuilov, Nurullina, et al., 1983 | liquid phase; solvent: Nonaquous |
+ = C28H14Cl4N2O5
By formula: C20H14O + C8Cl4N2O4 = C28H14Cl4N2O5
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -73.2 | kJ/mol | Cm | Adigezalov, Kiselev, et al., 1991 | liquid phase; solvent: Dioxane |
+ = C40H26N2O6
By formula: C20H12N2O5 + C20H14O = C40H26N2O6
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -105. | kJ/mol | Cm | Adigezalov, Kiselev, et al., 1991 | liquid phase; solvent: Dioxane |
+ = C41H28N2O5
By formula: C21H14N2O4 + C20H14O = C41H28N2O5
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -100. | kJ/mol | Cm | Adigezalov, Kiselev, et al., 1991 | liquid phase; solvent: Dioxane |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, UV/Visible spectrum, References, Notes
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
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Japan AIST/NIMC Database- Spectrum MS-NW-2439 |
NIST MS number | 229232 |
UV/Visible spectrum
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Spectrum
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
View spectrum image in SVG format.
Download spectrum in JCAMP-DX format.
Source | Shellum and Birks, 1987 |
---|---|
Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
Source reference | RAS UV No. 17420 |
Instrument | unknown |
Melting point | 131 |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Mass spectrum (electron ionization), UV/Visible spectrum, Notes
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
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Mass spectrum (electron ionization), UV/Visible spectrum, References
- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.