Acetic acid

Posted on by ydelpico on May 2nd, 2009 | Comments Off

Acetic acid, or its ionized form (acetate), has the formula CH 3-COOH (C2H4O2). and IUPAC name ethanoic acid would.

The melting point is 16.6 ° C and boiling point is 117.9 ° C. In aqueous solution, acetic acid can lose the proton to give its conjugate base, acetate. Its pKa is 4.8 at 25 ° C, at moderately acid pH 4.8, about half of the molecules will have been detached from the proton. This makes it a weak acid and, in appropriate concentrations, can form buffers with its conjugate base. The dissociation constant at 20 ° C is Ka = 1.75 · 10-5.
Is of interest to the organic chemistry as a reagent for organic chemical as a ligand, and biochemistry as a metabolite (called as acetyl-coenzyme A). Is also used as substrate, in its activated form, in reactions catalyzed by enzymes known as acetyl transferases, in particular histone acetyl transferases.
The natural route of acetic acid is obtained via the carbonylation reaction (CO) methanol. Yesteryear are produced by oxidation of ethylene to acetaldehyde and subsequent oxidation thereof to acetic acid.

IDENTIFICATION NUMBERS:

CAS

1186-52-3 [RN]

2570-63-0 [RN]

64-19-7 [RN]

758-12-3 [RN]

ESIS

212-059-1 [EINECS / ELINCS]

214-693-4 [EINECS / ELINCS]

219-913-2 [EINECS / ELINCS]

THEORETICAL PROPERTIES:

LogP:	ACD / LogP: -0.29 XLogP: -0.10 ALOGPS: -0.12	# Of Rule of 5 Violations:	0
ACD / logD (pH 5.5):	-1.07	ACD / logD (pH 7.4):	-2.86
ACD / BCF (pH 5.5):	1	ACD / BCF (pH 7.4):	1
ACD / KOC (pH 5.5):	2.73	ACD / KOC (pH 7.4):	1
# H bond acceptors:	2	# H bond Donors:	1
# Freely Rotating Bonds:	0	Polar Surface Area:	26.3 Å ²
Index of Refraction:	1,375	Molar Refractivity:	12.87 cm ³
Molar Volume:	56.1 cm ³	Polarizability:	5.1 10 ^-24 cm ³
Surface Tension:	31.9 dyne / cm	Density:	1,068 g / cm ³
Flash Point:	40 ° C	Enthalpy of vaporization:	23.7 kJ / mol
Boiling Point:	117.1 ° C at 760 mmHg	Vapour Pressure:	13.9 mmHg at 25 ° C

Highlight the low flash point or flash point of the compound, which must take special care in handling because it can be very easily flammable atmospheres, it is recommended inert handling systems, and electrical continuity

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