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Calcium Sulfate
CAS: 7778-18-9 | H2CaO4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7778-18-9
Molecular Formula:
H2CaO4S
Molecular Mass:
138.16 g/mol
Names and Synonyms:
Calcium Sulfate
Sulfuric acid, calcium salt (1:1)
Calcium sulfate
Calcium sulphate
Crysalba
Calcium sulfate (CaSO4)
Calcium sulfate (1:1)
Drierite
Thiolite
Sulfuric acid calcium salt
Sulfuric acid calcium(2+) salt (1:1)
Basic calcium sulfate
Denka Sigma 1000
SSS-A
A 30 (sulfate)
CAS 20
A 30
CA 5 (sulfate)
CA 5
CAS 20-4
Osteoset
D 101A
Oparex 10
D 101A (sulfate)
Franklin Fiber H 45
CoCoat P 80HB
Raddichem 27
SurgiPlaster
D 1
D 1 (sulfate)
Capset
Calmatrix
GR
GR (sulfate)
KemWhite CG 80
JAX CS
CAB 30
HG 2
HG 2 (sulfate)
NP-S 02
SK 10
NP-M 01
TR 100 (sulfate)
E 541
NP-MO 1
CaSO4
NP-S 04
NW 10
NW 20
NP-M 02I30
BKL-B 6D556CL1
NP-M 02
NP-S 04E
NP-S 15
Identifiers:
SMILES:
O=S(=O)(O)O.[Ca]
InChI:
InChI=1S/Ca.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)
Key Properties
Melting Point
1450 °C
CAS Common Chemistry
Density
2.96 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 138.16 g/mol | CAS Common Chemistry |
| 138.15699999999998 g/mol | RDKit | |
| 137.929970524 g/mol | RDKit | |
| Density | 2.96 g/cm³ | CAS Common Chemistry |
| 2.960 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Calcium_sulfate | CAS Common Chemistry |
| Canonical SMILES | [Ca].O=S(=O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/Ca.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=GJYLKIZKRHDRER-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 1450 °C | CAS Common Chemistry |
| Name | Calcium sulfate | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 74.60000000000001 Ų | RDKit |
| LogP | -1.0335999999999999 | RDKit |
| Molar Refractivity | 19.9314 | RDKit |
