Chemical Properties of Aspirin (CAS 50-78-2)

Aspirin

InChI
InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
InChI Key
BSYNRYMUTXBXSQ-UHFFFAOYSA-N
Formula
C9H8O4
SMILES
CC(=O)Oc1ccccc1C(=O)O
Molecular Weight1
180.16
CAS
50-78-2
Other Names
  • 2-(Acetyloxy)benzoic acid
  • 2-Acetoxybenzoic acid
  • 2-Acetylsalicyclic acid
  • 2-Carboxyphenyl acetate
  • A.S.A.
  • A.S.A. Empirin
  • AC 5230
  • ASA
  • Acenterine
  • Acesal
  • Acesan
  • Acetal
  • Acetard
  • Aceticyl
  • Acetilsalicilico
  • Acetilum Acidulatum
  • Acetisal
  • Acetol
  • Acetonyl
  • Acetophen
  • Acetosal
  • Acetosalic acid
  • Acetosalin
  • Acetylin
  • Acetylsal
  • Acetylsalicylic acid
  • Acetylsalicylsaure
  • Acide acetylsalicylique
  • Acido O-acetil-benzoico
  • Acido acetilsalicilico
  • Acidum acetylsalicylicum
  • Acimetten
  • Acisal
  • Acylpyrin
  • Adiro
  • Asagran
  • Asatard
  • Ascoden-30
  • Ascolong
  • Aspalon
  • Aspec
  • Aspergum
  • Aspirdrops
  • Aspirine
  • Aspro
  • Aspropharm
  • Asteric
  • Bayer
  • Benaspir
  • Benzoic acid, 2-(acetyloxy)-
  • Bi-prin
  • Bialpirina
  • Bialpirinia
  • Bufferin
  • Caprin
  • Cemirit
  • Claradin
  • Clariprin
  • Colfarit
  • Colsprin
  • Contrheuma retard
  • Coricidin
  • Crystar
  • Decaten
  • Delgesic
  • Dolean PH 8
  • Duramax
  • ECM
  • Easprin
  • Ecolen
  • Ecotrin
  • Empirin
  • Endydol
  • Entericin
  • Enterophen
  • Enterosarein
  • Enterosarine
  • Entrophen
  • Extren
  • Globentyl
  • Globoid
  • Helicon
  • Idragin
  • Kapsazal
  • Kyselina 2-acetoxybenzoova
  • Kyselina acetylsalicylova
  • Levius
  • Magnecyl
  • Measurin
  • Micristin
  • Miniasal
  • Neuronika
  • Novid
  • Nu-seals
  • Nu-seals aspirin
  • O-acetylsalicylic acid
  • Persistin
  • Pharmacin
  • Pirseal
  • Polopiryna
  • Premaspin
  • Rheumintabletten
  • Rhodine
  • Rhonal
  • S-211
  • SP 189
  • Salacetin
  • Salcetogen
  • Saletin
  • Salicylic acid acetate
  • Salicylic acid, acetyl-
  • Salycylacetylsalicylic acid
  • Solfrin
  • Solprin acid
  • Solpyron
  • Spira-Dine
  • St. Joseph
  • St. Joseph Aspirin for Adults
  • Supac
  • Tasprin
  • Temperal
  • Triaminicin
  • Triple-Sal
  • Xaxa
  • Yasta
  • Zorprin
  • benzoic acid, 2-acetoxy-
  • o-(Acetyloxy)benzoic acid
  • o-Acetoxybenzoic acid
  • o-Carboxyphenyl acetate
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ω 0.7540 Relay (1.0) Calculated Property
Δf -371.98 kJ/mol Joback Calculated Property
Δfgas -641.84 kJ/mol Relay (1.0) Calculated Property
Δfus 33.85 kJ/mol Thermodynamic properties of sublimation of the ortho and meta isomers of acetoxy and acetamido benzoic acids
Δvap 90.62 kJ/mol Relay (1.0) Calculated Property
IE 8.79 eV Relay (1.0) Calculated Property
log10WS [-1.73; -1.67]   Show Hide
log10WS -1.67 Aq. Solubility Prediction
log10WS -1.73 Rytting (2005)
logPoct/wat 1.310 Crippen Calculated Property
McVol 128.790 ml/mol McGowan Calculated Property
Pc 4082.92 kPa Joback Calculated Property
Inp [1270.00; 1315.00]   Show Hide
Inp 1270.00 NIST
Inp 1315.00 NIST
Inp 1309.00 NIST
Inp 1309.00 NIST
Inp 1270.00 NIST
Tboil 556.36 K Relay (1.0) Calculated Property
Tc 785.24 K Relay (1.0) Calculated Property
Tfus [134.80; 510.00] K Show Hide
Tfus 410.19 K Aq. Solubility Prediction
Tfus 408.65 K Determination and prediction of solubilities of active pharmaceutical ingredients in selected organic solvents
Tfus 408.15 K Liquid pharmaceuticals formulation by eutectic formation
Tfus 408.50 K Polar Mixed-Solid Solute Systems in Supercritical Carbon Dioxide: Entrainer Effect and Its Influence on Solubility and Selectivity
Tfus 409.00 ± 3.00 K NIST
Tfus 414.00 ± 4.00 K NIST
Tfus 405.00 ± 12.00 K NIST
Tfus 412.00 ± 5.00 K NIST
Tfus 403.00 ± 8.00 K NIST
Tfus 415.00 ± 3.00 K NIST
Tfus 414.00 ± 5.00 K NIST
Tfus 410.00 ± 6.00 K NIST
Tfus 410.00 ± 5.00 K NIST
Tfus 402.00 ± 10.00 K NIST
Tfus 405.00 ± 10.00 K NIST
Tfus 388.00 ± 15.00 K NIST
Tfus 388.00 ± 15.00 K NIST
Tfus 387.00 ± 15.00 K NIST
Tfus 409.80 ± 4.00 K NIST
Tfus 408.00 ± 5.00 K NIST
Tfus 406.00 ± 5.00 K NIST
Tfus 402.00 ± 6.00 K NIST
Tfus 401.00 ± 6.00 K NIST
Tfus 396.00 ± 8.00 K NIST
Tfus 387.00 ± 8.00 K NIST
Tfus 397.00 ± 8.00 K NIST
Tfus 388.00 ± 8.00 K NIST
Tfus 396.00 ± 6.00 K NIST
Tfus 394.00 ± 6.00 K NIST
Tfus 392.00 ± 6.00 K NIST
Tfus 373.00 ± 6.00 K NIST
Tfus 391.00 ± 6.00 K NIST
Tfus 373.00 ± 6.00 K NIST
Tfus 381.00 ± 10.00 K NIST
Tfus 383.00 ± 10.00 K NIST
Tfus 416.00 ± 3.00 K NIST
Tfus 400.00 ± 2.00 K NIST
Tfus 395.00 ± 2.00 K NIST
Tfus 391.00 ± 2.00 K NIST
Tfus 408.00 ± 5.00 K NIST
Tfus 416.00 ± 3.00 K NIST
Tfus 406.00 ± 10.00 K NIST
Tfus 404.90 ± 2.00 K NIST
Tfus 404.50 ± 2.00 K NIST
Tfus 407.10 ± 2.50 K NIST
Tfus 406.40 ± 2.00 K NIST
Tfus 407.80 ± 2.00 K NIST
Tfus 407.00 ± 2.50 K NIST
Tfus 404.50 ± 2.00 K NIST
Tfus 404.30 ± 2.00 K NIST
Tfus 405.80 ± 2.00 K NIST
Tfus 405.30 ± 2.00 K NIST
Tfus 409.00 ± 2.50 K NIST
Tfus 407.30 ± 2.00 K NIST
Tfus 405.25 ± 2.00 K NIST
Tfus 403.50 ± 2.00 K NIST
Tfus 406.80 ± 2.00 K NIST
Tfus 405.90 ± 2.00 K NIST
Tfus 409.30 ± 2.00 K NIST
Tfus 407.10 ± 2.00 K NIST
Tfus 404.70 ± 2.00 K NIST
Tfus 404.80 ± 2.00 K NIST
Tfus 406.50 ± 2.00 K NIST
Tfus 407.90 ± 2.00 K NIST
Tfus 407.50 ± 2.50 K NIST
Tfus 407.50 ± 2.00 K NIST
Tfus 404.10 ± 2.00 K NIST
Tfus 404.30 ± 2.00 K NIST
Tfus 407.20 ± 2.50 K NIST
Tfus 406.70 ± 2.00 K NIST
Tfus 406.30 ± 2.00 K NIST
Tfus 407.60 ± 2.00 K NIST
Tfus 407.20 ± 2.00 K NIST
Tfus 402.20 ± 4.00 K NIST
Tfus 406.70 ± 2.00 K NIST
Tfus 406.20 ± 2.00 K NIST
Tfus 407.20 ± 2.00 K NIST
Tfus 407.20 ± 2.00 K NIST
Tfus 407.70 ± 2.00 K NIST
Tfus 408.00 ± 2.00 K NIST
Tfus 406.20 ± 2.00 K NIST
Tfus 409.00 ± 2.00 K NIST
Tfus 408.20 ± 2.00 K NIST
Tfus 406.80 ± 0.50 K NIST
Tfus 406.80 ± 0.50 K NIST
Tfus 406.60 ± 0.50 K NIST
Tfus 407.80 ± 2.00 K NIST
Tfus 402.10 ± 4.00 K NIST
Tfus 402.50 ± 4.00 K NIST
Tfus 405.90 ± 3.00 K NIST
Tfus 406.90 ± 3.00 K NIST
Tfus 407.00 ± 3.00 K NIST
Tfus 408.00 ± 1.50 K NIST
Tfus 407.40 ± 0.50 K NIST
Tfus 407.70 ± 0.50 K NIST
Tfus Outlier 134.80 ± 0.50 K NIST
Tfus 407.00 ± 3.00 K NIST
Tfus 412.00 ± 4.00 K NIST
Tfus 407.20 ± 2.00 K NIST
Tfus 407.20 ± 2.00 K NIST
Tfus 407.10 ± 3.00 K NIST
Tfus 407.50 ± 2.00 K NIST
Tfus 405.40 ± 1.00 K NIST
Tfus 407.90 ± 2.00 K NIST
Tfus 405.40 ± 1.00 K NIST
Tfus 407.90 ± 2.00 K NIST
Tfus 405.40 ± 1.00 K NIST
Tfus 407.90 ± 2.00 K NIST
Tfus 405.20 ± 2.00 K NIST
Tfus Outlier 273.15 ± 5.00 K NIST
Tfus 405.00 ± 3.00 K NIST
Tfus 398.00 ± 6.00 K NIST
Tfus 397.70 ± 3.00 K NIST
Tfus Outlier 510.00 ± 4.00 K NIST
Vc 0.467 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [313.39; 358.88] J/mol×K [659.32; 868.49] Show Hide
Cp,gas 313.39 J/mol×K 659.32 Joback Calculated Property
Cp,gas 322.42 J/mol×K 694.18 Joback Calculated Property
Cp,gas 330.85 J/mol×K 729.04 Joback Calculated Property
Cp,gas 338.71 J/mol×K 763.90 Joback Calculated Property
Cp,gas 346.00 J/mol×K 798.77 Joback Calculated Property
Cp,gas 352.72 J/mol×K 833.63 Joback Calculated Property
Cp,gas 358.88 J/mol×K 868.49 Joback Calculated Property
η [0.0000688; 0.0015914] Pa×s [413.04; 659.32] Show Hide
η 0.0015914 Pa×s 413.04 Joback Calculated Property
η 0.0007440 Pa×s 454.09 Joback Calculated Property
η 0.0003946 Pa×s 495.13 Joback Calculated Property
η 0.0002306 Pa×s 536.18 Joback Calculated Property
η 0.0001455 Pa×s 577.23 Joback Calculated Property
η 0.0000976 Pa×s 618.27 Joback Calculated Property
η 0.0000688 Pa×s 659.32 Joback Calculated Property
ΔfusH [29.17; 31.01] kJ/mol [409.20; 414.00] Show Hide
ΔfusH 29.17 kJ/mol 409.20 NIST
ΔfusH 31.01 kJ/mol 412.70 NIST
ΔfusH 29.80 kJ/mol 414.00 NIST

Similar Compounds

2-(Propionyloxy)benzoic acid. Benzoic acid, 2-ethoxy-. Aspirin methyl ester. 2-(Acetyloxy)-5-bromobenzoic acid. Salicylic anhydride, diacetate. Salicylic acid, methyl carbonate. Trimethylsilyl acetylsalicylate. 2-[(2-Chloropropanoyl)oxy]benzoic acid. Benzoic acid, 2-methoxy-. 2-(Acetyloxy)-3-methoxybenzoic acid. O-(carboxymethoxy) benzoic acid. Methyl salicylate, O-trifluoroacetyl-. Salicylic acid, 2,2,2-trichloroethyl carbonate. Benzoic acid, 2-trifluoroacetyloxy-, trimethylsilyl ester. Benzoic acid, p-acetoxy.

Find more compounds similar to Aspirin.

Mixtures

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.