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

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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-371.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-513.64	kJ/mol	Joback Calculated Property
ΔfusH°	33.85	kJ/mol	Thermod...
ΔvapH°	71.15	kJ/mol	Joback Calculated Property
log10WS	[-1.73; -1.67]
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]
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
Tfus	410.19	K	Aq. Sol...
Tfus	408.65	K	Determi...
Tfus	408.15	K	Liquid ...
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]
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]
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]
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

Find more compounds similar to Aspirin.

Mixtures

• Ethanol + Aspirin
• Isopropyl Alcohol + Aspirin
• Aspirin + 1-Octanol
• Choline chloride + Aspirin
• Acetonitrile + Aspirin
• Carbon dioxide + Aspirin
• Benzoic acid + Carbon dioxide + Aspirin
• Carbon dioxide + Salicylic acid + Aspirin
• 1-Propanol + Aspirin
• Aspirin + 1-Butanol
• Carbon dioxide + Aspirin + Methyl Alcohol
• Carbon dioxide + Ethanol + Aspirin
• Aspirin + Ethyl Acetate
• Isobutyl acetate + Aspirin
• Aspirin + 1-Propanol, 2-methyl-
• Methyl Isobutyl Ketone + Aspirin
• Carbon dioxide + Aspirin + Acetone
• Aspirin + Acetone
• Propylene Glycol + Aspirin

Sources

• Crippen Method
• Solubility of aspirin in supercritical carbon dioxide/alcohol mixtures
• Determination and prediction of solubilities of active pharmaceutical ingredients in selected organic solvents
• Liquid pharmaceuticals formulation by eutectic formation
• Thermodynamic properties of sublimation of the ortho and meta isomers of acetoxy and acetamido benzoic acids
• Solubility of Benzoic Acid and Aspirin in Pure Solvents Using Focused Beam Reflective Measurement
• Solubility and Speciation of Ketoprofen and Aspirin in Supercritical CO2 by Infrared Spectroscopy
• Solubility of Aspirin in Supercritical Carbon Dioxide with and without Acetone
• Density, Viscosity, Speed of Sound, and Refractive Index of a Ternary Solution of Aspirin, 1-Butyl-3-methylimidazolium Bromide, and Acetonitrile at Different Temperatures T = (288.15 to 318.15) K
• Polar Mixed-Solid Solute Systems in Supercritical Carbon Dioxide: Entrainer Effect and Its Influence on Solubility and Selectivity
• Solubility of Acetylsalicylic Acid in Ethanol, Acetone, Propylene Glycol, and 2-Propanol
• Apparent Molal Volumes and Viscosity B-Coefficients of Acetyl Salicylic Acid (2-Acetoxy Benzoic Acid) Solutions in Higher Alcohols at Different Temperatures
• Joback Method
• Aqueous Solubility Prediction Method
• Aqueous and cosolvent solubility data for drug-like organic compounds
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.