Chemical Properties of Benzoic acid, 2-(acetyloxy)- (CAS 50-78-2)

Benzoic acid, 2-(acetyloxy)-

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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
  • o-(Acetyloxy)benzoic acid
  • o-Acetoxybenzoic acid
  • o-Carboxyphenyl acetate
Sources

Physical Properties

Property Value Unit Source
Δf -371.98 kJ/mol Joback Calculated Property
Δfgas -513.64 kJ/mol Joback Calculated Property
Δfus 21.19 kJ/mol Joback Calculated Property
Δvap 71.15 kJ/mol Joback Calculated Property
logPoct/wat 1.31 Crippen Calculated Property
Pc 4082.92 kPa Joback Calculated Property
Tboil 659.32 K Joback Calculated Property
Tc 868.49 K Joback Calculated Property
Tfus [134.80; 510.00] K Show Hide
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 0.48 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 313.39 J/mol×K 659.32 Joback Calculated Property
η 0.00 Pa×s 659.32 Joback Calculated Property
ΔfusH 29.17 kJ/mol 409.2 NIST
ΔfusH 31.01 kJ/mol 412.7 NIST
ΔfusH 29.80 kJ/mol 414.0 NIST

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 2
=CH- (ring) 4
-OH (alcohol) 1
=C< (ring) 2
-CH3 1

Similar Compounds

2-(Propionyloxy)benzoic acid. Aspirin methyl ester. Benzoic acid, 2-ethoxy-. 2-[(2-Chloropropanoyl)oxy]benzoic acid. 2-(Acetyloxy)-5-bromobenzoic acid. Trimethylsilyl acetylsalicylate. O-(carboxymethoxy) benzoic acid. Salicylic anhydride, diacetate. Ethylene glycol, O-acetyl-, O'-(2-acetyloxy)benzoate. Methyl 2-ethoxybenzoate. Benzoic acid, 2-methoxy-. Methyl 2-hydroxy-4-methoxybenzoate, acetate. Benzoic acid, 2-propyloxy-, methyl ester. Salicylic acid, ethyl ether, ethyl ester. Benzoic acid, 2-(isopropyl)oxy-, methyl ester.

Find more compounds similar to Benzoic acid, 2-(acetyloxy)-.

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