Benzoic acid

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Benzoic acid
Skelet formula
Baw-an-stick model
Pile of benzoic acid crystals.jpg
Names
Preferred IUPAC name
Benzoic acid[1]
Seestematic IUPAC name
Benzenecarboxylic acid
Ither names
  • Carboxybenzene
  • E210
  • Dracylic acid
  • Phenylmethanoic acid
  • BzOH
Identifiers
3D model (JSmol)
3DMet B00053
636131
ChEBI
ChEMBL
ChemSpider
DrugBank
ECHA InfoCard 100.000.562
EC Nummer 200-618-2
E nummer E210 (preservatives)
Gmelin Reference 2946
KEGG
MeSH benzoic+acid
RTECS nummer DG0875000
UNII
Properties
C7H6O2
Molar mass 122.12 g·mol−1
Appearance Colourless crystalline solid
Odour Waik, pleisant odour
Density 1.2659 g/cm3 (15 °C)
1.0749 g/cm3 (130 °C)[2]
Meltin pynt 122 °C (252 °F; 395 K)[7]
Bylin pynt 250 °C (482 °F; 523 K)[7]
1.7 g/L (0 °C)
2.7 g/L (18 °C)
3.44 g/L (25 °C)
5.51 g/L (40 °C)
21.45 g/L (75 °C)
56.31 g/L (100 °C)[2][3]
Solubility soluble in acetone, benzene, CCl4, CHCl3, alcohol, ethyl ether, hexane, phenyls, liquid ammonia, acetates
Solubility in methanol 30 g/100 g (-18 °C)
32.1 g/100 g (-13 °C)
71.5 g/100 g (23 °C)[2]
Solubility in ethanol 25.4 g/100 g (-18 °C)
47.1 g/100 g (15 °C)
52.4 g/100 g (19.2 °C)
55.9 g/100 g (23 °C)[2]
Solubility in acetone 54.2 g/100 g (20 °C)[2]
Solubility in olive oil 4.22 g/100 g (25 °C)[2]
Solubility in 1,4-Dioxane 55.3 g/100 g (25 °C)[2]
log P 1.87
Vapour pressur 0.16 Pa (25 °C)
0.19 kPa (100 °C)
22.6 kPa (200 °C)[4]
Acidity (pKa)
Magnetic susceptibility -70.28·10−6 cm3/mol
Refractive index (nD) 1.5397 (20 °C)
1.504 (132 °C)[2]
Viscosity 1.26 mPa (130 °C)
Structur
Monoclinic
Molecular shape planar
1.72 D in dioxane
Thermochemistry
Speceefic heat capacity, C 146.7 J/mol·K[4]
Staundart molar
entropy
So298
167.6 J/mol·K[2]
Std enthalpy o
formation
ΔfHo298
-385.2 kJ/mol[2]
Std enthalpy o
combustion
ΔcHo298
-3228 kJ/mol[4]
Hazards
Main hazards Irritant
Safety data sheet JT Baker
GHS pictograms The corrosion pictogram in the Globally Harmonized Seestem o Classification an Labelling o Chemicals (GHS)The exclamation-mark pictogram in the Globally Harmonized Seestem o Classification an Labellin of Chemicals (GHS)[8]
GHS signal wird Danger
GHS hazard statements H318, H335[8]
GHS precautionary statements P261, P280, P305+351+338[8]
NFPA 704
Flammability code 1: Must be pre-heatit afore igneetion can occur. Flash pynt ower 93 °C (200 °F). E.g., canola ileHealth code 2: Intense or continued but nae chronic exposure could cause temporary incapacitation or possible residual injury. E.g., chloroformReactivity code 0: Normally stable, even unner fire exposur condeetions, an is nae reactive wi watter. E.g., liquid nitrogenSpecial hazards (white): no codeNFPA 704 four-colored diamond
1
2
0
Flash pynt 121.5 °C (250.7 °F; 394.6 K)[7]
571 °C (1,060 °F; 844 K)[7]
Lethal dose or concentration (LD, LC):
1700 mg/kg (ratton, oral)
Relatit compoonds
Hydroxybenzoic acids
Aminobenzoic acids,
Nitrobenzoic acids,
Phenylacetic acid
Relatit compoonds
Benzaldehyde,
Benzyl alcohol,
Benzoyl chloride,
Benzylamine,
Benzamide
Except whaur itherwise notit, data are gien for materials in thair staundart state (at 25 °C [77 °F], 100 kPa).
YesY verify (whit is YesYN ?)
Infobox references

Benzoic acid is a white (or colourless) solit wi the formula C6H5CO2H. It is the semplest aromatic carboxylic acid.

References[eedit | eedit soorce]

  1. Nomenclature of Organic Chemistry : IUPAC Recommendations and Preferred Names 2013 (Blue Book). Cambridge: The Royal Society of Chemistry. 2014. p. 745. doi:10.1039/9781849733069-00648. ISBN 978-0-85404-182-4.
  2. 2.0 2.1 2.2 2.3 2.4 2.5 2.6 2.7 2.8 2.9 "benzoic acid". chemister.ru. Retrieved 24 October 2018.
  3. Seidell, Atherton; Linke, William F. (1952). Solubilities of Inorganic and Organic Compounds. Van Nostrand. Retrieved 2014-05-29.
  4. 4.0 4.1 4.2 Benzoic acid in Linstrom, P.J.; Mallard, W.G. (eds.) NIST Chemistry WebBook, NIST Standard Reference Database Number 69. National Institute of Standards and Technology, Gaithersburg MD. http://webbook.nist.gov (retrieved 2014-05-23)
  5. Harris, Daniel (2010). Quantitative Chemical Analysis (8 ed.). New York: W. H. Freeman and Company. pp. AP12. ISBN 9781429254366.
  6. Olmstead, William N.; Bordwell, Frederick G. (1980). "Ion-pair association constants in dimethyl sulfoxide". The Journal of Organic Chemistry. 45 (16): 3299–3305. doi:10.1021/jo01304a033.
  7. 7.0 7.1 7.2 7.3 Record in the GESTIS Substance Database frae the IFA
  8. 8.0 8.1 8.2 Sigma-Aldrich Co., Benzoic acid. Retrieved on 2014-05-23.