Gentisic acid
- Formula: C5H11NO2
- Molecular weight: 117.1463
- IUPAC Standard InChI: InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)
- IUPAC Standard InChIKey: WXTMDXOMEHJXQO-UHFFFAOYSA-N
- CAS Registry Number: 490-79-9
- 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: Benzoic acid, 2,5-dihydroxy-; Gensigen; Gensigon; Hydroquinonecarboxylic acid; 2,5-Dihydroxybenzoic acid; 2,5-Dioxybenzoic acid; 5-Hydroxysalicylic acid; Gentisate; Salicylic acid, 5-hydroxy-; 2,5-Dhba; Kyselina 2,5-dihydroxybenzoova; Kyselina gentisinova; 3,6-Dihydroxybenzoic acid; Gentisinic acid; NSC 27224
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Gas phase ion energetics 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:
B - John E. Bartmess
MM - Michael M. Meot-Ner (Mautner)
Proton affinity at 298K
| Proton affinity (kcal/mol) | Reference | Comment |
|---|---|---|
| 127.04 ± 0.30 | Kuo, Zhang, et al., 1997 | T = 298K; Photoionization of HNO yields DHf(HNO+) from which PA(NO) is calculated at 0 K and 298K.; MM |
De-protonation reactions
C7H5O4- + =
By formula: C7H5O4- + H+ = C5H11NO2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrG° | 317.7 ± 2.7 | kcal/mol | IMRB | Breuker, Knochenmuss, et al., 1999 | gas phase; Acid: 2,5-dihydroxy benzoic acid; B |
References
Go To: Top, 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.
Kuo, Zhang, et al., 1997
Kuo, S.C.; Zhang, Z.Y.; Ross, S.K.; Klemm, R.B.; Johnson, R.D.; Monks, P.S.; Thorn, R.P.; Stief, L.J.,
Discharge flow-photoionization mass spectrometric study of HNO: Phtoionization efficiency spectrum and ionization energy and proton affinity of NO,
J. Phys. Chem. A, 1997, 101, 4035. [all data]
Breuker, Knochenmuss, et al., 1999
Breuker, K.; Knochenmuss, R.; Zenobi, R.,
Gas-phase basicities of deprotonated matrix-assisted laser desorption/ionization matrix molecules,
Int. J. Mass Spectrom., 1999, 184, 1, 25-38, https://doi.org/10.1016/S1387-3806(98)14200-8
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
ΔrG° Free energy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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