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19780-80-4

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Basic Information
CAS No.: 19780-80-4
Name: 2-HEXYL-1-OCTENE
Article Data: 9
Molecular Structure:
Molecular Structure of 19780-80-4 (2-HEXYL-1-OCTENE)
Formula: C14H28
Molecular Weight: 196.376
Synonyms: 7-Methylenetridecane;2-Hexyl-1-octene;1-Octene,2-hexyl- (8CI);
Density: 0.771 g/cm3
Boiling Point: 249.1 °C at 760 mmHg
Flash Point: 99.8 °C
PSA: 0.00000
LogP: 5.48340
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Specification

The Tridecane, 7-methylene-, with the CAS registry number 19780-80-4, is also known as 2-Hexyl-1-octene. This chemical's molecular formula is C14H28 and molecular weight is 196.37. What's more, its systematic name is 7-Methylidenetridecane.

Physical properties of Tridecane, 7-methylene- are: (1)ACD/LogP: 7.71; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.71; (4)ACD/LogD (pH 7.4): 7.71; (5)ACD/BCF (pH 5.5): 422654.63; (6)ACD/BCF (pH 7.4): 422654.63; (7)ACD/KOC (pH 5.5): 370384.34; (8)ACD/KOC (pH 7.4): 370384.34; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.435; (14)Molar Refractivity: 66.47 cm3; (15)Molar Volume: 254.5 cm3; (16)Polarizability: 26.35×10-24 cm3; (17)Surface Tension: 25.9 dyne/cm; (18)Density: 0.771 g/cm3; (19)Flash Point: 99.8 °C; (20)Enthalpy of Vaporization: 46.66 kJ/mol; (21)Boiling Point: 249.1 °C at 760 mmHg; (22)Vapour Pressure: 0.037 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: C=C(/CCCCCC)CCCCCC
(2)InChI: InChI=1/C14H28/c1-4-6-8-10-12-14(3)13-11-9-7-5-2/h3-13H2,1-2H3
(3)InChIKey: QDOYJBSJTHIWKH-UHFFFAOYAM