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
- $CH_3COOH$
- 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 $-C \leq H_3$ $A_{}'$ double 3051.0 3051.0 active active vw degenerate with $\nu_13$ V3 stretching sym. $-C \leq H_3$ $A_{}'$ no 2944.0 2944.0 active inactive vw V4 stretching $>C=O$ $A_{}'$ no 1788.0 1788.0 active inactive vs V5 deformation $-C \leq H_3$ $A_{}'$ double 1430.0 1430.0 active inactive shoulder - degenerate with $\nu_14$ V6 bending sym. $-C \leq H_3$ $A_{}'$ no 1382.0 1382.0 active inactive m V7 bending $\eqslantgtr C-O-H$ $A_{}'$ 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