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

Aspirin

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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

Physical Properties

Property Value Unit Source
Δf -371.98 kJ/mol Joback Calculated Property
Δfgas -513.64 kJ/mol Joback Calculated Property
Δfus [33.51; 33.85] kJ/mol Show Hide
Δfus 33.51 kJ/mol Determi...
Δfus 33.85 kJ/mol Thermod...
Δvap 71.15 kJ/mol Joback Calculated Property
log10WS [-1.73; -1.67]   Show Hide
log10WS -1.67 Aq. Sol...
log10WS -1.73 Rytting...
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 659.32 K Joback Calculated Property
Tc 868.49 K Joback Calculated Property
Tfus [134.80; 510.00] K Show Hide
Tfus 410.19 K Aq. Sol...
Tfus 408.65 K Determi...
Tfus 408.15 K Liquid ...
Tfus 407.38 K Thermod...
Tfus 408.50 K Polar M...
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 0.480 m3/kmol Joback 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
Cp,solid 239.00 J/mol×K 298.00 Liquid ...
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
Psub [1.19e-04; 1.17e-03] kPa [341.11; 361.11] Show Hide
Psub 1.19e-04 kPa 341.11 Thermod...
Psub 1.20e-04 kPa 341.11 Thermod...
Psub 1.58e-04 kPa 343.24 Thermod...
Psub 1.47e-04 kPa 343.24 Thermod...
Psub 1.94e-04 kPa 345.28 Thermod...
Psub 2.03e-04 kPa 345.28 Thermod...
Psub 2.38e-04 kPa 347.10 Thermod...
Psub 2.30e-04 kPa 347.10 Thermod...
Psub 2.90e-04 kPa 349.24 Thermod...
Psub 3.05e-04 kPa 349.24 Thermod...
Psub 3.78e-04 kPa 351.27 Thermod...
Psub 3.87e-04 kPa 351.27 Thermod...
Psub 4.78e-04 kPa 353.10 Thermod...
Psub 4.71e-04 kPa 353.10 Thermod...
Psub 6.43e-04 kPa 355.28 Thermod...
Psub 5.99e-04 kPa 355.28 Thermod...
Psub 7.96e-04 kPa 357.27 Thermod...
Psub 7.44e-04 kPa 357.27 Thermod...
Psub 8.90e-04 kPa 359.23 Thermod...
Psub 9.66e-04 kPa 359.23 Thermod...
Psub 1.17e-03 kPa 361.11 Thermod...
Psub 1.17e-03 kPa 361.11 Thermod...

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, m-acetoxy.

Find more compounds similar to Aspirin.

Mixtures

Sources

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