CAS No.4696-57-5,BARIUM LAURATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4696-57-5
Name:	BARIUM LAURATE

Formula:	C₂₄H₄₆BaO₄
Molecular Weight:	535.95
Synonyms:	Dodecanoicacid, barium salt (9CI);Lauric acid, barium salt (8CI);B 12 (salt);Barium dilaurate;Barium dodecanoate;Barium laurate;Stavinor 340;
EINECS:	225-167-9
Boiling Point:	296.1 °C at 760 mmHg
Flash Point:	134.1 °C
Solubility:	488mg/L at 20℃
PSA:	52.60000
LogP:	7.82960

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Specification

The CAS registry number of Dodecanoic acid, bariumsalt (2:1) is 4696-57-5. It belongs to the product category of Organic-metal salt. This chemical is also named as Lauric acid, barium salt (8CI). Its EINECS registry number is 225-167-9. In addition, its molecular formula is C₂₄H₄₆BaO₄ and molecular weight is 535.95. Its systematic name and IUPAC name are the same which is called barium didodecanoate.

Physical properties about Dodecanoic acid, bariumsalt (2:1) are: (1)ACD/LogP: 5.03; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.23; (4)ACD/LogD (pH 7.4): 2.44; (5)ACD/BCF (pH 5.5): 627.67; (6)ACD/BCF (pH 7.4): 10.08; (7)ACD/KOC (pH 5.5): 2082.83; (8)ACD/KOC (pH 7.4): 33.43; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10; (12)Flash Point: 134.1 °C; (13)Enthalpy of Vaporization: 56.59 kJ/mol; (14)Boiling Point: 296.1 °C at 760 mmHg; (15)Vapour Pressure: 0.000661 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Ba+2].[O-]C(=O)CCCCCCCCCCC.[O-]C(=O)CCCCCCCCCCC
(2)InChI: InChI=1/2C12H24O2.Ba/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2*2-11H2,1H3,(H,13,14);/q;;+2/p-2
(3)InChIKey: RYTAZQLUNUCPFQ-NUQVWONBAU