Molecule
Name
Acetic acid
IUPAC name
Acetic acid
Secondary names
Ethanoic acid, Methanecarboxylic acid, Ethylic acid, Vinegar acid, CH3COOH, CH3CO2H, C2H4O2, AcOH
InChI
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
InChI key
QTBSBXVTEAMEQO-UHFFFAOYSA-N
CAS number
64-19-7
Formula
CH3COOH
Chemical formula
CH3COOH
Structural formula
[CH3]C(=O)[OH]
Charge
0
Unpaired electrons
0
  Atom Name Number
C Carbon 2
H Hydrogen 4
O Oxygen 2
Relations
  • no
Isotope mixture type
terrestrial abundance
Spin type
equilibrated
Spin quantum numbers
1/2 (para, E), 3/2 (ortho, A)
Equilibrium ortho/para ratio
2 (2/1)
Molar mass
60.052 g/mol
State STP
liquid
Protic
protic
Polarity
polar
Dipole
1.7 D
Molecule symmetry
Cs
Case
nonlinear-polyatomic
Vibrations number
18
Vibrations
Label Mode Bond Symmetry Degeneracy Fundamental frequency Observed frequency Observed frequency Harmonic frequency Activity IR Activity Raman Strength Comments
V1 stretching OH A no 3583.0 3583.0 active inactive m
V2 stretching CH3 A double 3051.0 3051.0 active active vw degenerate with ν13
V3 stretching sym. CH3 A no 2944.0 2944.0 active inactive vw
V4 stretching >C=O A no 1788.0 1788.0 active inactive vs
V5 deformation CH3 A double 1430.0 1430.0 active inactive shoulder - degenerate with ν14
V6 bending sym. CH3 A no 1382.0 1382.0 active inactive m
V7 bending COH A no 1264.0 1264.0 active inactive m
V8 stretching CO A no 1182.0 1182.0 active inactive s
V9 bending asym. in-p (rocking) CH3 A no 989.0 989.0 active inactive m
V10 stretching CC A no 847.0 847.0 active inactive w
V11 deformation O=C()O A no 657.0 657.0 active inactive s
V12 deformation CC()=O A no 581.0 581.0 active inactive m
V13 stretching CH3 A double 2996.0 2996.0 active active vw degenerate with ν2
V14 deformation CH3 A double 1430.0 1430.0 active inactive shoulder - degenerate with ν5
V15 bending asym. in-p (rocking) CH3 A double 1048.0 active inactive w degenerate with ν5
V16 bending out-p >C=O A no 642.0 642.0 active inactive s
V17 deformation CO A no 534.0 534.0 active inactive m
V18 deformation CH3 A no 93.0 active inactive czlculated frequency
Publications
Chemical functions
  Function Number
RCH3 1
RC(=O)OH 1
Chemical bonds
  Bond Number
CH 3
CC 1
>C=O 1
CO 1
OH 1