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| CAS No.: | 13586-82-8 |
|---|---|
| Name: | COBALT OCTOATE |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C16H30CoO4 |
| Molecular Weight: | 345.405 |
| Synonyms: | Hexanoicacid, 2-ethyl-, cobalt salt (8CI,9CI);Cobalt 2-ethylhexanoate;Cobalt Hex-Cem;Nikka Octhix Cobalt;Noury-Dry;Nuodex Co 6;Octa-Soligen Cobalt 10; |
| EINECS: | 205-250-6 |
| Density: | g/cm3 |
| Boiling Point: | 228°Cat760mmHg |
| Flash Point: | 116.6°C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 10-36/37/38-40-43 |
| Safety: | 26-36/37 |
| PSA: | 52.60000 |
| LogP: | 4.42060 |
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Specification
The Hexanoic acid,2-ethyl-, cobalt salt (1:?), with the CAS registry number 13586-82-8, is also known as 2-Ethyl-hexanoicacicobaltsalt. It belongs to the product categories of Organic-metal salt. Its EINECS registry number is 205-250-6. This chemical's molecular formula is C16H30CoO4 and molecular weight is 345.34. What's more, both its IUPAC name is Cobalt(2+); 2-ethylhexanoate.
Physical properties about Hexanoic acid,2-ethyl-, cobalt salt (1:?) are: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.96; (4)ACD/LogD (pH 7.4): 0.17; (5)ACD/BCF (pH 5.5): 11.85; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 123.98; (8)ACD/KOC (pH 7.4): 2.01; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 37.3 ?2; (13)Polarizability: 10-24cm3; (14)Flash Point: 116.6 °C; (15)Enthalpy of Vaporization: 51.18 kJ/mol; (16)Boiling Point: 228 °C at 760 mmHg; (17)Vapour Pressure: 0.027 mmHg at 25°C .
When you are dealing with this chemical, you should be very careful. It is Flammable, and may cause damage to health,.In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: [Co+2].[O-]C(=O)C(CC)CCCC
(2) InChI: InChI=1/C8H16O2.Co/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+2/p-1
(3) InChIKey: RLGHSHOBCCXNGA-REWHXWOFAK