dialuminium(3+) ion calcium tetraoxidandiide

• ChemBase ID: 303100
• Molecular Formular: Al2CaO4
• Molecular Mass: 158.038676
• Monoisotopic Mass: 157.90532672
• SMILES: [O-2].[O-2].[O-2].[O-2].[AlH3+3].[AlH3+3].[Ca+2]
• Canonical SMILES: [O-2].[O-2].[O-2].[O-2].[AlH3+3].[AlH3+3].[Ca+2]
• InChI: InChI=1S/2Al.Ca.4O/q2*+3;+2;4*-2
• InChIKey: QLFWCZVSXCBRRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dialuminium(3+) ion calcium tetraoxidandiide
• IUPAC Traditional name: dialuminium(3+) ion calcium tetraoxidandiide
• Synonyms: Calcium aluminate; Calcium aluminum oxide; 铝酸钙

Database IDs

• CAS Number: 12042-68-1
• EC Number: 234-931-0
• MDL Number: MFCD00049722

CALCULATED PROPERTIES

• Acid pKa: 15.7
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.652
• LogD (pH = 7.4): -0.652
• Log P: -0.652
• Molar Refractivity: 13.1149 cm^3
• Polarizability: 1.8190874 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: -200 Mesh Powder
• Melting Point: 1600°C
• Density: 2.981

Safety Information

• Storage Warning: Hygroscopic
• TSCA Listed: 是

Product Information

• Purity: 99% (metals basis)