Sodium Superoxide

CAS: 1313-60-6 · Na2O2

2D Structure

Loading 3D structure...

CAS Registry Number

1313-60-6

SMILES

[Na+].[Na+].[O-][O-]

InChI Key

PFUVRDFDKPNGAV-UHFFFAOYSA-N

InChI

InChI=1S/2Na.O2/c;;1-2/q2*+1;-2

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	77.98 g/mol	CAS Common Chemistry
	77.978 g/mol	RDKit
	82.01 g/mol	chempirical lib
Density	2.81 g/cm³	CAS Common Chemistry
	2.805 g/cm3 @ 20 °C	CAS Common Chemistry
Wikipedia Url	https://en.wikipedia.org/wiki/Sodium_superoxide	CAS Common Chemistry
Canonical SMILES	[Na]OO[Na]	CAS Common Chemistry
InChI	InChI=1S/2Na.O2/c;;1-2/q2*+1;-2	CAS Common Chemistry
InChI Key	InChIKey=PFUVRDFDKPNGAV-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	460 °C (decomp)	CAS Common Chemistry
Name	Sodium peroxide	CAS Common Chemistry
	Sodium superoxide	CAS Common Chemistry
Heavy Atom Count	4	RDKit
Hydrogen Bond Acceptors	2	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	0	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	46.12 Å²	RDKit
LogP	-8.370000000000001	RDKit
	-8.37	RDKit
Molar Refractivity	0.0 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.0	RDKit
Exact Mass	77.96936780000001 g/mol	RDKit

NMR, IR, and Mass spectral data

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Convert

MW = 77.98 g/mol; density = 2.810 g/mL. Edit any field — others recompute live.

Mass (g) Moles (mmol) Moles (mol) Volume (mL)