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Hexadecanoic acid,calcium salt (2:1)

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Hexadecanoic acid,calcium salt (2:1)

EINECS 208-811-3
CAS No. 542-42-7 Density N/A
PSA 52.60000 LogP 10.95040
Solubility insoluble H2O, alcohol, ether, acetone; slightly soluble benzene [MER06] Melting Point decomposes above 155℃ [MER06]
Formula C32H62CaO4 Boiling Point 340.6 °C at 760 mmHg
Molecular Weight 550.92 Flash Point 154.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 542-42-7 (CALCIUM PALMITATE) Hazard Symbols N/A
Synonyms

Hexadecanoicacid, calcium salt (9CI);Palmitic acid, calcium salt (8CI);Calcium palmitate;

Article Data 2

Hexadecanoic acid,calcium salt (2:1) Specification

The Hexadecanoic acid,calcium salt (2:1), with the CAS registry number 542-42-7, is also known as Calcium Palmitate. Its EINECS registry number is 208-811-3. This chemical's molecular formula is C32H62CaO4 and molecular weight is 550.91. What's more, both its IUPAC name and systematic name are the same which is called Calcium dihexadecanoate.

Physical properties about Hexadecanoic acid,calcium salt (2:1) are: (1)ACD/LogP: 7.15; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 25739; (6)ACD/BCF (pH 7.4): 413; (7)ACD/KOC (pH 5.5): 29678; (8)ACD/KOC (pH 7.4): 476; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 37.3 Å2; (13)Flash Point: 154.1 °C; (14)Enthalpy of Vaporization: 61.66 kJ/mol; (15)Boiling Point: 340.6 °C at 760 mmHg; (16)Vapour Pressure: 3.28E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Ca+2].[O-]C(=O)CCCCCCCCCCCCCCC.[O-]C(=O)CCCCCCCCCCCCCCC
(2)InChI: InChI=1/2C16H32O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*2-15H2,1H3,(H,17,18);/q;;+2/p-2
(3)InChIKey: HRBZRZSCMANEHQ-NUQVWONBAN

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