1,3-Isobenzofurandione, 5-nitro-
- Formula: C8H3NO5
- Molecular weight: 193.1131
- IUPAC Standard InChI: InChI=1S/C8H3NO5/c10-7-5-2-1-4(9(12)13)3-6(5)8(11)14-7/h1-3H
- IUPAC Standard InChIKey: MMVIDXVHQANYAE-UHFFFAOYSA-N
- CAS Registry Number: 5466-84-2
- 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: Phthalic anhydride, 4-nitro-; 4-Nitrophthalic anhydride; 4-Nitrophthalic acid anhydride
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Phase change data
Go To: Top, Gas phase ion energetics data, References, Notes
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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tfus | 388. | K | N/A | Casellato, Vecchi, et al., 1977 | Uncertainty assigned by TRC = 1. K; TRC |
Enthalpy of fusion
| ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 4.097 | 388.2 | DSC | Casellato, Vecchi, et al., 1977, 2 | AC |
Gas phase ion energetics data
Go To: Top, Phase change data, 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: John E. Bartmess
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 2.129 ± 0.087 | IMRE | Paul and Kebarle, 1989 | ΔGea(423 K) = -47.8±1 kcal/mol, ΔS(est) = -3±3 eu |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Casellato, Vecchi, et al., 1977
Casellato, F.; Vecchi, C.; Girelli, A.,
Differential scanning calorimetry study of charge-transfer complexes of polynuclear aromatic hydrocarbons with the asymmetric acceptors 3- and 4-nitrophthalic anhydride,
Thermochim. Acta, 1977, 21, 2, 195, https://doi.org/10.1016/0040-6031(77)85017-X
. [all data]
Casellato, Vecchi, et al., 1977, 2
Casellato, F.; Vecchi, C.; Girelli, A.,
Differential scanning calorimetry study of charge-transfer complexes of polynuclear aromatic hydrocarbons with the asymmetric acceptors 3- and 4-nitrophthalic anhydride,
Thermochimica Acta, 1977, 21, 2, 195-199, https://doi.org/10.1016/0040-6031(77)85017-X
. [all data]
Paul and Kebarle, 1989
Paul, G.; Kebarle, P.,
Electron Affinities of Cyclic Unsaturated Dicarbonyls: Maleic Anhydrides, Maleimides, and Cyclopentendione,
J. Am. Chem. Soc., 1989, 111, 2, 464, https://doi.org/10.1021/ja00184a009
. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
EA Electron affinity Tfus Fusion (melting) point ΔfusH Enthalpy of fusion - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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