Methanol | SSHADE

Molecule

Name: Methanol

Name and identifiers

IUPAC name: (13C,1H4,16O)Methanol
Secondary names: Methyl alcohol, Methyl hydroxide, Methyl hydrate, Methylic alcohol, Hydroxymethane, 13CH3OH, CH3OH-13, CH4O
InChI: InChI=1S/CH4O/c1-2/h2H,1H3
Comments: $^{13}CH_3^{16}OH$ isotope

Structure and atomic composition

Formula: $^{13}CH_3^{16}OH$
Chemical formula: CH3OH
Isotopic formula: [13]C[1]H4[16]O
Structural formula: [13CH3][16OH]
Charge: 0
Unpaired electrons: 0

	Atom	Name	Number
	$^{13}C$	Carbon	1
	$^1H$	Hydrogen	4
	$^{16}O$	Oxygen	1

Relations

no

Isotopic composition

Isotope mixture type: pure isotope

Nuclear spin isomers

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: 33.0296 $g/mol$
State STP: liquid
State NTP: liquid
Protic: protic
Polarity: polar
Dipole: 1.7 $D$

Fundamental vibration modes

Molecule symmetry

Cs

Case

asymmetric-top

Vibrations number

12

Comments

Data from VPL Molecular Spectroscopic Database

Publications

Shimanouchi, 1972, Natl. Bur. Stand., 39, 1 - 160

Chemical functions and bonds

Chemical functions

	Function	Number
	$R-OH$	1

Chemical bonds

	Bond	Number
	$\geq ^{13}C-^1H$	3
	$\geq ^{13}C-^{16}O-$	1
	$-^{16}O-^{1}H$	1