Molecule
- Name
- Methanol
- IUPAC name
- (12C,1H4,16O)Methanol
- Secondary names
- Methyl alcohol, Methyl hydroxide, Methyl hydrate, Methylic alcohol, Hydroxymethane, 12CH3OH, CH3OH-12, CH4O
- InChI
- InChI=1S/CH4O/c1-2/h2H,1H3
- Comments
- $^{12}CH_3^{16}OH$ isotope
- Formula
- $^{12}CH_3^{16}OH$
- Chemical formula
- CH3OH
- Isotopic formula
- [12]C[1]H4[16]O
- Structural formula
- [12CH3][16OH]
- Charge
- 0
- Unpaired electrons
- 0
- Relations
-
- no
- Isotope mixture type
- pure isotope
- Spin type
- equilibrated
- Spin quantum numbers
- 1/2 (para, E), 3/2 (ortho, A)
- Equilibrium ortho/para ratio
- 1 (2/2)
- Temperature at half ortho/para ratio
- 7.0 $K$
- Molar mass
- 32.0262 $g/mol$
- State STP
- liquid
- State NTP
- liquid
- Protic
- protic
- Polarity
- polar
- Dipole
- 1.7 $D$
- Molecule symmetry
- Cs
- Case
- asymmetric-top
- Vibrations number
- 12
- 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 3681.0 3681.0 active active m Raman: 3270-3480 $cm^{-1}$ (liq) V2 stretching asym. $-C \leq H_3$ $A_{}'$ no 2999.0 2999.0 active active m perpendicular antisymmetric stretching (A') - Raman: 2993 $cm^{-1}$ (liq) V3 stretching sym. $-C \leq H_3$ $A_{}'$ no 2844.0 2844.0 active active s parallel symmetric stretching (A') - Raman: 2834 $cm^{-1}$ (liq) V4 bending in-p $-C \leq H_3$ $A_{}'$ no 1477.0 1477.0 active active m in-plane antisymmetric bending - de-degenerated from and overlapped by $\nu_{10}$ - Raman: 1464 $cm^{-1}$ (liq) V5 bending in-p $-C \leq H_3$ $A_{}'$ no 1454.0 1454.0 active inactive m in-plane symmetric bending V6 bending $-O-H$ $A_{}'$ no 1340.0 1340.0 active inactive s V7 bending asym. in-p (rocking) $-C \leq H_3$ $A_{}'$ no 1074.0 1074.0 active active w overlapped by $\nu_8$ - Raman: 1107 $cm^{-1}$ (liq) V8 stretching $\geq C-O-$ $A_{}'$ no 1033.0 1033.0 active active vs Raman: 1032 $cm^{-1}$ (gas), 1033 $cm^{-1}$ (liq) V9 stretching asym. $-C \leq H_3$ $A_{}"$ no 2970.0 2970.0 active active s perpendicular antisymmetric stretching (A") - 2955 $cm^{-1}$ (gas), 2940 $cm^{-1}$ (liq) V10 bending out-p $-C \leq H_3$ $A_{}"$ no 1465.0 1465.0 active active m out-of-plane antisymmetric bending - de-degenerated from and overlapped by $\nu_4$ - Raman: 1464 $cm^{-1}$ (liq) V11 bending asym. in-p (rocking) $-C \leq H_3$ $A_{}"$ no 1145.0 active active vw Raman: 1165 $cm^{-1}$ (liq) V12 deformation $CH_3OH$ $A_{}"$ no 270.0 270.0 200.0 active inactive s very inacurate position: 80-300, very broad mode - Comments
- Data from VPL Molecular Spectroscopic Database
- Publications