Calcium chloride

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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Names


IUPAC name Calcium chloride
Other names Neutral calcium chloride calcium(II) chloride calcium dichloride (1:2) E509
Identifiers
CAS Number	10043-52-4^Y 22691-02-7 (monohydrate)^Y 10035-04-8 (dihydrate)^Y 25094-02-4 (tetrahydrate)^N 7774-34-7 (hexahydrate)^Y
3D model (JSmol)	Interactive image Interactive image monohydrate: Interactive image dihydrate: Interactive image hexahydrate: Interactive image
ChEBI	CHEBI:3312^Y
ChEMBL	ChEMBL1200668^N
ChemSpider	23237^Y
DrugBank	DB01164^Y
ECHA InfoCard	100.030.115
EC Number	233-140-8
E number	E509 (acidity regulators, ...)
PubChem CID	24854
RTECS number	EV9800000
UNII	OFM21057LP^Y LEV48803S9 (monohydrate)^Y M4I0D6VV5M (dihydrate)^Y 1D898P42YW (hexahydrate)^Y
CompTox Dashboard (EPA)	DTXSID5020235
InChI InChI=1S/Ca.2ClH/h;21H/q+2;;/p-2^Y Key: UXVMQQNJUSDDNG-UHFFFAOYSA-L^Y 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)^[1]
Melting point	772–775 °C (1,422–1,427 °F; 1,045–1,048 K) anhydrous^[5] 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^[5] 30 °C (86 °F; 303 K) hexahydrate, decomposes^[1]
Boiling point	1,935 °C (3,515 °F; 2,208 K) anhydrous^[1]
Solubility in water	Anhydrous: 74.5 g/100 mL (20 °C)^[2] 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)^[1] 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)^[3]
Solubility	Soluble in acetic acid, alcohols Insoluble in liquid ammonia, dimethyl sulfoxide (DMSO), ethyl acetate^[4]
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)^[4]
Solubility in methanol	21.8 g/100 g (0 °C) 29.2 g/100 g (20 °C) 38.5 g/100 g (40 °C)^[4]
Solubility in acetone	0.1 g/kg (20 °C)^[4]
Solubility in pyridine	16.6 g/kg^[4]
Acidity (pK_a)	8–9 (anhydrous) 6.5–8.0 (hexahydrate)
Magnetic susceptibility (χ)	−5.47·10⁻⁵ cm³/mol^[1]
Refractive index (n_D)	1.52
Viscosity	3.34 cP (787 °C) 1.44 cP (967 °C)^[4]
Structure
Crystal structure	Orthorhombic (rutile, anhydrous), oP6 Tetragonal (anhydrous, > 217 °C), oP6^[6] Trigonal (hexahydrate)
Space group	Pnnm, No. 58 (anhydrous) P4₂/mnm, No. 136 (anhydrous, >217 °C)^[6]
Point group	2/m 2/m 2/m (anhydrous) 4/m 2/m 2/m (anhydrous, >217 °C)^[6]
Lattice constant	a = 6.259 Å, b = 6.444 Å, c = 4.17 Å (anhydrous, 17 °C)^[6] α = 90°, β = 90°, γ = 90°
Coordination geometry	Octahedral at Ca²⁺ centres (anhydrous)
Thermochemistry
Heat capacity (C)	72.89 J/(mol·K) (anhydrous)^[1] 106.23 J/(mol·K) (monohydrate) 172.92 J/(mol·K) (dihydrate) 251.17 J/(mol·K) (tetrahydrate) 300.7 J/(mol·K) (hexahydrate)^[5]
Std molar entropy (S^⦵₂₉₈)	108.4 J/(mol·K)^[1]^[5]
Std enthalpy of formation (Δ_fH^⦵₂₉₈)	−795.42 kJ/mol (anhydrous)^[1] −1110.98 kJ/mol (monohydrate) −1403.98 kJ/mol (dihydrate) −2009.99 kJ/mol (tetrahydrate) −2608.01 kJ/mol (hexahydrate)^[5]
Gibbs free energy (Δ_fG^⦵)	−748.81 kJ/mol^[1]^[5]
Pharmacology
ATC code	A12AA07 (WHO) B05XA07 (WHO), G04BA03 (WHO)
Hazards
Occupational safety and health (OHS/OSH):
Main hazards	Irritant
GHS labelling:
Pictograms	^[7]
Signal word	Warning
Hazard statements	H319^[7]
Precautionary statements	P305+P351+P338^[7]
NFPA 704 (fire diamond)	^[9] 2 0 1
Lethal dose or concentration (LD, LC):
LD₅₀ (median dose)	1,000-1,400 mg/kg (rats, oral)^[8]
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). N verify (what is ^YN ?) Infobox references

Calcium chloride

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