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23410-25-5

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Basic Information
CAS No.: 23410-25-5
Name: barium dipalmitate
Molecular Structure:
Molecular Structure of 23410-25-5 (barium dipalmitate)
Formula: C32H62BaO4
Molecular Weight: 648.15928
Synonyms: Hexadecanoicacid, barium salt (9CI);Palmitic acid, barium salt (8CI);Barium palmitate;Barium dipalmitate;
EINECS: 245-641-9
Boiling Point: 340.6 °C at 760 mmHg
Flash Point: 154.1 °C
PSA: 80.26000
LogP: 8.43520
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Specification

The Hexadecanoic acid,barium salt (2:1), with the CAS registry number 23410-25-5, is also known as Barium dipalmitate. It belongs to the product category of Organic-metal salt. Its EINECS registry number is 245-641-9. This chemical's molecular formula is C32H62BaO4 and molecular weight is 648.1593. What's more, its IUPAC name is Barium(2+); hexadecanoate.

Physical properties about Hexadecanoic acid,barium salt (2:1) are: (1)ACD/LogP: 7.15; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.36; (4)ACD/LogD (pH 7.4): 4.56; (5)ACD/BCF (pH 5.5): 25738.91; (6)ACD/BCF (pH 7.4): 412.92; (7)ACD/KOC (pH 5.5): 29677.7; (8)ACD/KOC (pH 7.4): 476.11; (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: [Ba+2].[O-]C(=O)CCCCCCCCCCCCCCC.[O-]C(=O)CCCCCCCCCCCCCCC
(2)InChI: InChI=1/2C16H32O2.Ba/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: RAVAZXZOSFZIRB-NUQVWONBAK