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Heptanoic acid, zincsalt (2:1)

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Name

Heptanoic acid, zincsalt (2:1)

EINECS
CAS No. 5261-20-1 Density
Solubility Melting Point
Formula C14H26O4Zn Boiling Point 222.6 °C at 760 mmHg
Molecular Weight 323.74 Flash Point 99.2 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 5261-20-1 (Heptanoic acid, zincsalt (2:1)) Hazard Symbols
Synonyms

Heptanoicacid, zinc salt (8CI,9CI);Zinc heptanoate (7CI);Zinc enanthate;Diheptanoic acid zinc salt;

 

Heptanoic acid, zincsalt (2:1) Specification

The Heptanoic acid, zincsalt (2:1), with the CAS registry number 5261-20-1, is also known as Diheptanoic acid zinc salt. Its EINECS registry number is 226-069-9. This chemical's molecular formula is C14H26O4Zn and molecular weight is 323.74. What's more, both its IUPAC name and systematic name are the same which is called Zinc diheptanoate.

Physical properties about Heptanoic acid, zincsalt (2:1) are: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.58; (4)ACD/LogD (pH 7.4): -0.22; (5)ACD/BCF (pH 5.5): 5.99; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 74.54; (8)ACD/KOC (pH 7.4): 1.2; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 37.3 Å2; (13)Flash Point: 99.2 °C; (14)Enthalpy of Vaporization: 48.52 kJ/mol; (15)Boiling Point: 222.6 °C at 760 mmHg; (16)Vapour Pressure: 0.0578 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Zn+2].[O-]C(=O)CCCCCC.[O-]C(=O)CCCCCC
(2)InChI: InChI=1/2C7H14O2.Zn/c2*1-2-3-4-5-6-7(8)9;/h2*2-6H2,1H3,(H,8,9);/q;;+2/p-2
(3)InChIKey: XWHCUISQLSVNCW-NUQVWONBAS

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