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Molecule
Aluminum Sulfate Octadecahydrate
CAS: 7784-31-8 · H14AlO10S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7784-31-8
- Molecular Formula
- H14AlO10S
- Molecular Mass
- 233.15 g/mol
Identifiers
CAS Registry Number
7784-31-8
SMILES
O.O.O.O.O.O.O=S(=O)(O)O.[Al]
InChI Key
HWVOINJDHDECJA-UHFFFAOYSA-N
InChI
InChI=1S/Al.H2O4S.6H2O/c;1-5(2,3)4;;;;;;/h;(H2,1,2,3,4);6*1H2
Names and Synonyms
- Aluminum Sulfate Octadecahydrate Common Name
- Sulfuric acid, aluminum salt (3:2), octadecahydrate Synonym
- Cake alum Synonym
- Patent alum Synonym
- Aluminum sulfate octadecahydrate Synonym
- Dialuminum sulfate octadecahydrate Synonym
- Aluminum trisulfate octadecahydrate Synonym
- Dialuminum trisulfate octadecahydrate Synonym
- Aluminum sulfate (Al2(SO4)3) octadecahydrate Synonym
- Aluminum sulfate octadecahydrate (Al2(SO4)3.18H2O) Synonym
- Aluminum sesquisulfate octadecahydrate Synonym
- Aluminum sulfate (Al2(SO4)3) hydrate (1:18) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 233.15 g/mol | CAS Common Chemistry |
| 233.151 g/mol | RDKit | |
| 236.168 g/mol | chempirical lib | |
| Canonical SMILES | [Al].O=S(=O)(O)O.O | CAS Common Chemistry |
| InChI | InChI=1S/Al.H2O4S.6H2O/c;1-5(2,3)4;;;;;;/h;(H2,1,2,3,4);6*1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=HWVOINJDHDECJA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Aluminum sulfate octadecahydrate | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 263.59999999999997 Ų | RDKit |
| 263.6 Ų | RDKit | |
| LogP | -5.981799999999995 | RDKit |
| -5.9818 | RDKit | |
| Molar Refractivity | 41.61420000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 233.012306278 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 233.15 g/mol. Edit any field — others recompute live.
