Chemical Properties of Aspirin methyl ester (CAS 580-02-9)

Aspirin methyl ester

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InChI
InChI=1S/C10H10O4/c1-7(11)14-9-6-4-3-5-8(9)10(12)13-2/h3-6H,1-2H3
InChI Key
ONWPLBKWMAUFGZ-UHFFFAOYSA-N
Formula
C10H10O4
SMILES
COC(=O)c1ccccc1OC(C)=O
Molecular Weight1
194.18
CAS
580-02-9
Other Names
  • Acetylsalicylic acid methyl ester
  • Benzoic acid, 2-(acetyloxy)-, methyl ester
  • Methyl 2-(acetyloxy)benzoate
  • Methyl O-acetylsalicylate
  • Methyl acetylsalicylate
  • Methyl aspirin
  • Methyl o-acetoxybenzoate
  • Methyl rhodin
  • Methyl salicylate, O-acetyl-
  • Methylrhodine
  • NSC 403847
  • O-Acetyl methyl salicylate
  • Salicylic acid acetate, methyl ester
  • Salicylic acid, methyl ester, acetate
Sources

Physical Properties

Property Value Unit Source
Δf -331.74 kJ/mol Joback Calculated Property
Δfgas -514.27 kJ/mol Joback Calculated Property
Δfus 20.88 kJ/mol Joback Calculated Property
Δvap 59.10 kJ/mol Joback Calculated Property
logPoct/wat 1.40 Crippen Calculated Property
Pc 3191.93 kPa Joback Calculated Property
Tboil 612.44 K Joback Calculated Property
Tc 831.50 K Joback Calculated Property
Tfus 385.72 K Joback Calculated Property
Vc 0.54 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 338.80 J/mol×K 612.44 Joback Calculated Property
η 0.00 Pa×s 612.44 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Methyl 2-ethoxybenzoate. Benzoic acid, 2-(acetyloxy)-. Salicylic anhydride, diacetate. Ethylene glycol, O-acetyl-, O'-(2-acetyloxy)benzoate. 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. Benzoic acid, 2-(2-methylpropyl)oxy-, methyl ester. 2-(Propionyloxy)benzoic acid. Benzoic acid, 2-(3-methylbutyl)oxy-, methyl ester. Benzoic acid, 2-(2-methylbutyl)oxy-, methyl ester. Benzoic acid, 2-(1-methylpropyl)oxy-, methyl ester. Salicylic acid, isopropyl ether, isopropyl ester. Benzoic acid, 2-methoxy-, methyl ester.

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