Aspirin
- Formula: C9H8O4
- Molecular weight: 180.1574
- IUPAC Standard InChI: InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
- IUPAC Standard InChIKey: BSYNRYMUTXBXSQ-UHFFFAOYSA-N
- CAS Registry Number: 50-78-2
- 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: Benzoic acid, 2-(acetyloxy)-; Salicylic acid acetate; o-Acetoxybenzoic acid; o-Carboxyphenyl acetate; A.S.A.; A.S.A. Empirin; Acenterine; Acesal; Acetal; Aceticyl; Acetilum Acidulatum; Acetisal; Acetol; Acetophen; Acetosal; Acetosalic acid; Acetosalin; Acetylin; Acetylsal; Acetylsalicylic acid; Acidum acetylsalicylicum; Acisal; Acylpyrin; Asagran; Aspro; Asteric; AC 5230; ASA; Benaspir; Bialpirina; Colfarit; Dolean PH 8; Duramax; Ecotrin; Empirin; Endydol; Enterophen; Enterosarein; Enterosarine; Globentyl; Globoid; Helicon; Idragin; Measurin; Neuronika; Novid; Polopiryna; Rheumintabletten; Rhodine; Rhonal; Salacetin; Salcetogen; Saletin; SP 189; Temperal; Triple-Sal; Xaxa; Yasta; 2-(Acetyloxy)benzoic acid; 2-Acetoxybenzoic acid; 2-Carboxyphenyl acetate; O-acetylsalicylic acid; Acetonyl; Acetylsalicylsaure; Acide acetylsalicylique; Adiro; Aspec; Aspergum; Aspirdrops; Aspirine; Bi-prin; Cemirit; Claradin; Clariprin; Crystar; Decaten; Ecolen; Entericin; Extren; ECM; Levius; Micristin; Pharmacin; Pirseal; Premaspin; S-211; Solfrin; Solprin acid; Spira-Dine; St. Joseph; Acetilsalicilico; Acido acetilsalicilico; Acimetten; Acido O-acetil-benzoico; Asatard; Aspalon; Bialpirinia; Caprin; Contrheuma retard; Delgesic; Entrophen; Kyselina 2-acetoxybenzoova; Kyselina acetylsalicylova; Solpyron; Bayer; Bufferin; Easprin; St. Joseph Aspirin for Adults; 2-Acetylsalicyclic acid; Ascoden-30; Coricidin; Nu-seals; Nu-seals aspirin; Persistin; Supac; Tasprin; Triaminicin; Salicylic acid, acetyl-; o-(Acetyloxy)benzoic acid; Zorprin; Magnecyl; Miniasal; Colsprin; Acesan; Acetard; Ascolong; Aspropharm; Salycylacetylsalicylic acid; Kapsazal
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Phase change data
Go To: Top, Reaction thermochemistry 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 | 405. ± 10. | K | AVG | N/A | Average of 103 out of 110 values; Individual data points |
Enthalpy of fusion
| ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 29.17 | 409.2 | DSC | Xu, Sun, et al., 2004 | AC |
| 31.01 | 412.7 | DSC | Perlovich and Bauer-Brandl, 2001 | See also Perlovich and Bauer-Brandl, 2003.; AC |
| 29.8 | 414. | N/A | Kirklin, 2000 | AC |
Reaction thermochemistry 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: 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
+
=
+
By formula: C9H8O4 + H2O = C2H4O2 + C7H6O3
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -27.2 ± 0.3 | kJ/mol | Cm | Nelander, 1964 | solid phase; Heat of hydrolysis |
References
Go To: Top, Phase change data, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Xu, Sun, et al., 2004
Xu, F.; Sun, L.-X.; Tan, Z.-C.; Liang, J.-G.; Zhou, D.-H.; Di, Y.-Y.; Lan, X.Z.; Zhang, T.,
Wuji Huaxue Xuebao, 2004, 20, 1, 50. [all data]
Perlovich and Bauer-Brandl, 2001
Perlovich, G.L.; Bauer-Brandl, A.,
Organometallics, 2001, 63, 3, 653-661, https://doi.org/10.1023/A:1010119532614
. [all data]
Perlovich and Bauer-Brandl, 2003
Perlovich, German L.; Bauer-Brandl, Annette,
Pharmaceutical Research, 2003, 20, 3, 471-478, https://doi.org/10.1023/A:1022624725495
. [all data]
Kirklin, 2000
Kirklin, Duane R.,
Enthalpy of combustion of acetylsalicylic acid,
The Journal of Chemical Thermodynamics, 2000, 32, 6, 701-709, https://doi.org/10.1006/jcht.1999.0650
. [all data]
Nelander, 1964
Nelander, L.,
The heats of hydrolysis of aspirin, thioaspirin, and their p-analogues,
Acta Chem. Scand., 1964, 18, 973-984. [all data]
Notes
Go To: Top, Phase change data, Reaction thermochemistry data, References
- Symbols used in this document:
Tfus Fusion (melting) point ΔfusH Enthalpy of fusion ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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