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

- 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 −O−H A′ no 3583.0 3583.0 active inactive m V2 stretching −C≤H3 A′ double 3051.0 3051.0 active active vw degenerate with ν13 V3 stretching sym. −C≤H3 A′ no 2944.0 2944.0 active inactive vw V4 stretching >C=O A′ no 1788.0 1788.0 active inactive vs V5 deformation −C≤H3 A′ double 1430.0 1430.0 active inactive shoulder - degenerate with ν14 V6 bending sym. −C≤H3 A′ no 1382.0 1382.0 active inactive m V7 bending ⪖ A_{}' no 1264.0 1264.0 active inactive m V8 stretching \eqslantgtr C-O- A_{}' no 1182.0 1182.0 active inactive s V9 bending asym. in-p (rocking) -C \leq H_3 A_{}' no 989.0 989.0 active inactive m V10 stretching \eqslantgtr C-C\leq 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 \geq C-C(-)=O A_{}' no 581.0 581.0 active inactive m V13 stretching -C \leq H_3 A double 2996.0 2996.0 active active vw degenerate with \nu_2 V14 deformation -C \leq H_3 A double 1430.0 1430.0 active inactive shoulder - degenerate with \nu_5 V15 bending asym. in-p (rocking) -C \leq H_3 A double 1048.0 active inactive w degenerate with \nu_5 V16 bending out-p >C=O A no 642.0 642.0 active inactive s V17 deformation \eqslantgtr C-O- A no 534.0 534.0 active inactive m V18 deformation -C \leq H_3 A no 93.0 active inactive czlculated frequency - Publications