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Name |
Dodecanoic acid, bariumsalt (2:1) |
EINECS | 225-167-9 |
CAS No. | 4696-57-5 | Density | N/A |
PSA | 52.60000 | LogP | 7.82960 |
Solubility | 488mg/L at 20℃ | Melting Point |
N/A |
Formula | C24H46BaO4 | Boiling Point | 296.1 °C at 760 mmHg |
Molecular Weight | 535.95 | Flash Point | 134.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Dodecanoicacid, barium salt (9CI);Lauric acid, barium salt (8CI);B 12 (salt);Barium dilaurate;Barium dodecanoate;Barium laurate;Stavinor 340; |
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