Calcium chloride

Calcium chloride
	Structure of calcium chloride, (chlorine is green, calcium is gray)
	Sample of calcium chloride
Names
	IUPAC name Calcium chloride
	Other names Neutral calcium chloride; calcium(II) chloride; calcium dichloride (1:2); E509;
Identifiers
CAS Number	10043-52-4 ; 22691-02-7 (monohydrate) ; 10035-04-8 (dihydrate) ; 25094-02-4 (tetrahydrate) ; 7774-34-7 (hexahydrate) ;
3D model (JSmol)	Interactive image; Interactive image; monohydrate: Interactive image; dihydrate: Interactive image; hexahydrate: Interactive image;
ChEBI	CHEBI:3312 ;
ChEMBL	ChEMBL1200668 ;
ChemSpider	23237 ;
DrugBank	DB01164 ;
ECHA InfoCard	100.030.115
EC Number	233-140-8;
E number	E509 (acidity regulators, ...)
PubChem CID	24854;
RTECS number	EV9800000;
UNII	OFM21057LP ; LEV48803S9 (monohydrate) ; M4I0D6VV5M (dihydrate) ; 1D898P42YW (hexahydrate) ;
CompTox Dashboard (EPA)	DTXSID5020235 ;
	InChI InChI=1S/Ca.2ClH/h;21H/q+2;;/p-2 Key: UXVMQQNJUSDDNG-UHFFFAOYSA-L ; InChI=1/Ca.2ClH/h;21H/q+2;;/p-2 Key: UXVMQQNJUSDDNG-NUQVWONBAG;
	SMILES Cl[Ca]Cl; [Ca+2].[Cl-].[Cl-]; monohydrate: Cl[Ca]Cl.O; dihydrate: Cl[Ca]Cl.O.O; hexahydrate: Cl[Ca]Cl.O.O.O.O.O.O;
Properties
Chemical formula	CaCl2
Molar mass	110.98 g·mol−1
Appearance	White hygroscopic powder
Odor	Odorless
Density	2.15 g/cm3 (anhydrous); 2.24 g/cm3 (monohydrate); 1.85 g/cm3 (dihydrate); 1.83 g/cm3 (tetrahydrate); 1.71 g/cm3 (hexahydrate);
Melting point	772–775 °C (1,422–1,427 °F; 1,045–1,048 K) ; anhydrous; 260 °C (500 °F; 533 K); monohydrate, decomposes; 175 °C (347 °F; 448 K); dihydrate, decomposes; 45.5 °C (113.9 °F; 318.6 K); tetrahydrate, decomposes; 30 °C (86 °F; 303 K); hexahydrate, decomposes
Boiling point	1,935 °C (3,515 °F; 2,208 K) anhydrous
Solubility in water	Anhydrous: ; 74.5 g/100 mL (20 °C); Hexahydrate:; 49.4 g/100 mL (−25 °C); 59.5 g/100 mL (0 °C); 65 g/100 mL (10 °C); 81.1 g/100 mL (25 °C); 102.2 g/100 mL (30.2 °C); α-Tetrahydrate:; 90.8 g/100 mL (20 °C); 114.4 g/100 mL (40 °C); Dihydrate:; 134.5 g/100 mL (60 °C); 152.4 g/100 mL (100 °C)
Solubility	Soluble in acetic acid, alcohols; Insoluble in liquid ammonia, dimethyl sulfoxide (DMSO), ethyl acetate;
Solubility in ethanol	18.3 g/100 g (0 °C); 25.8 g/100 g (20 °C); 35.3 g/100 g (40 °C); 56.2 g/100 g (70 °C);
Solubility in methanol	21.8 g/100 g (0 °C); 29.2 g/100 g (20 °C); 38.5 g/100 g (40 °C);
Solubility in acetone	0.1 g/kg (20 °C)
Solubility in pyridine	16.6 g/kg
Acidity (pKa)	8–9 (anhydrous); 6.5–8.0 (hexahydrate);
Magnetic susceptibility (χ)	−5.47·10−5 cm3/mol
Refractive index (nD)	1.52
Viscosity	3.34 cP (787 °C); 1.44 cP (967 °C);
Structure
Crystal structure	Orthorhombic (rutile, anhydrous), oP6; Tetragonal (anhydrous, > 217 °C), oP6; Trigonal (hexahydrate);
Space group	Pnnm, No. 58 (anhydrous); P42/mnm, No. 136 (anhydrous, >217 °C);
Point group	2/m 2/m 2/m (anhydrous); 4/m 2/m 2/m (anhydrous, >217 °C);
Lattice constant	a = 6.259 Å, b = 6.444 Å, c = 4.17 Å (anhydrous, 17 °C) α = 90°, β = 90°, γ = 90°
Coordination geometry	Octahedral at Ca2+ centres (anhydrous)
Thermochemistry
Heat capacity (C)	72.89 J/(mol·K) (anhydrous); 106.23 J/(mol·K) (monohydrate); 172.92 J/(mol·K) (dihydrate); 251.17 J/(mol·K) (tetrahydrate); 300.7 J/(mol·K) (hexahydrate);
Std molar; entropy (S⦵298)	108.4 J/(mol·K)
Std enthalpy of; formation (ΔfH⦵298)	−795.42 kJ/mol (anhydrous); −1110.98 kJ/mol (monohydrate); −1403.98 kJ/mol (dihydrate); −2009.99 kJ/mol (tetrahydrate); −2608.01 kJ/mol (hexahydrate);
Gibbs free energy (ΔfG⦵)	−748.81 kJ/mol
Pharmacology
ATC code	A12AA07 (WHO) B05XA07 (WHO), G04BA03 (WHO)
Hazards
	Occupational safety and health (OHS/OSH):
Main hazards	Irritant
	GHS labelling:
Pictograms
Signal word	Warning
Hazard statements	H319
Precautionary statements	P305+P351+P338
NFPA 704 (fire diamond)	2 0 1
	Lethal dose or concentration (LD, LC):
LD50 (median dose)	1,000-1,400 mg/kg (rats, oral)
Related compounds
Other anions	Calcium fluoride; Calcium bromide; Calcium iodide;
Other cations	Beryllium chloride; Magnesium chloride; Strontium chloride; Barium chloride; Radium chloride;
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

Calcium chloride is an inorganic compound, a salt with the chemical formula CaCl₂. It is a white crystalline solid at room temperature, and it is highly soluble in water. It can be created by neutralising hydrochloric acid with calcium hydroxide.

Calcium chloride is commonly encountered as a hydrated solid with generic formula CaCl₂·nH₂O, where n = 0, 1, 2, 4, and 6. These compounds are mainly used for de-icing and dust control. Because the anhydrous salt is hygroscopic and deliquescent, it is used as a desiccant.^[10]

^ ^a ^b ^c ^d ^e ^f ^g ^h ⁱ Lide DR, ed. (2009). CRC Handbook of Chemistry and Physics (90th ed.). Boca Raton, Florida: CRC Press. ISBN 978-1-4200-9084-0.
^ "Calcium chloride (anhydrous)". ICSC. International Programme on Chemical Safety and the European Commission. Archived from the original on 25 September 2015. Retrieved 18 September 2015.
^ Seidell A, Linke WF (1919). Solubilities of Inorganic and Organic Compounds (second ed.). New York: D. Van Nostrand Company. p. 196.
^ ^a ^b ^c ^d ^e ^f Anatolievich KR. "Properties of substance: calcium chloride". chemister.ru. Archived from the original on 24 June 2015. Retrieved 7 July 2014.
^ ^a ^b ^c ^d ^e ^f Pradyot P (2019). Handbook of Inorganic Chemicals. The McGraw-Hill Companies, Inc. p. 162. ISBN 978-0-07-049439-8.
^ ^a ^b ^c ^d Müller U (2006). Inorganic Structural Chemistry (second ed.). England: John Wiley & Sons Ltd. p. 33. ISBN 978-0-470-01864-4.
^ ^a ^b ^c Sigma-Aldrich Co., Calcium chloride.
^ Garrett DE (2004). Handbook of Lithium and Natural Calcium Chloride. Elsevier. p. 379. ISBN 978-0-08-047290-4. Archived from the original on 31 October 2023. Retrieved 29 August 2018. Its toxicity upon ingestion, is indicated by the test on rats: oral LD50 (rat) is 1.0–1.4 g/kg (the lethal dose for half of the test animals, in this case rats...)
^ "MSDS of Calcium chloride". fishersci.ca. Fisher Scientific. Archived from the original on 25 September 2015. Retrieved 7 July 2014.
^ Robert Kemp, Suzanne E. Keegan "Calcium Chloride" in Ullmann's Encyclopedia of Industrial Chemistry 2000, Wiley-VCH, Weinheim. doi:10.1002/14356007.a04_547

[crc-1] ^ ^a ^b ^c ^d ^e ^f ^g ^h ⁱ Lide DR, ed. (2009). CRC Handbook of Chemistry and Physics (90th ed.). Boca Raton, Florida: CRC Press. ISBN 978-1-4200-9084-0.

[ICSC-2015-2] "Calcium chloride (anhydrous)". ICSC. International Programme on Chemical Safety and the European Commission. Archived from the original on 25 September 2015. Retrieved 18 September 2015.

[sioc-3] Seidell A, Linke WF (1919). Solubilities of Inorganic and Organic Compounds (second ed.). New York: D. Van Nostrand Company. p. 196.

[chemister-4] ^ ^a ^b ^c ^d ^e ^f Anatolievich KR. "Properties of substance: calcium chloride". chemister.ru. Archived from the original on 24 June 2015. Retrieved 7 July 2014.

[pphoic-5] ^ ^a ^b ^c ^d ^e ^f Pradyot P (2019). Handbook of Inorganic Chemicals. The McGraw-Hill Companies, Inc. p. 162. ISBN 978-0-07-049439-8.

[Müller-2006-6] Müller U (2006). Inorganic Structural Chemistry (second ed.). England: John Wiley & Sons Ltd. p. 33. ISBN 978-0-470-01864-4.

[sigma-7] Sigma-Aldrich Co., Calcium chloride.

[natcc-8] Garrett DE (2004). Handbook of Lithium and Natural Calcium Chloride. Elsevier. p. 379. ISBN 978-0-08-047290-4. Archived from the original on 31 October 2023. Retrieved 29 August 2018. Its toxicity upon ingestion, is indicated by the test on rats: oral LD50 (rat) is 1.0–1.4 g/kg (the lethal dose for half of the test animals, in this case rats...)

[fca-9] "MSDS of Calcium chloride". fishersci.ca. Fisher Scientific. Archived from the original on 25 September 2015. Retrieved 7 July 2014.

[Ullmann-10] Robert Kemp, Suzanne E. Keegan "Calcium Chloride" in Ullmann's Encyclopedia of Industrial Chemistry 2000, Wiley-VCH, Weinheim. doi:10.1002/14356007.a04_547

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Calcium chloride

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