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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