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130868-43-8

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Basic Information
CAS No.: 130868-43-8
Name: 2-(IODOMETHYL)-OXEPANE
Molecular Structure:
Molecular Structure of 130868-43-8 (2-(IODOMETHYL)-OXEPANE)
Formula: C7H13IO
Molecular Weight: 240.08
Synonyms: 2-(IODOMETHYL)-OXEPANE;2-(OODOMETHYL)-OXEPANE
Density: 1.547 g/cm3
Boiling Point: 249.3 °C at 760 mmHg
Flash Point: 104.6 °C
PSA: 9.23000
LogP: 2.38060
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Specification

The Oxepane,2-(iodomethyl)- is an organic compound with the formula C7H13IO. The systematic name of this chemical is 2-(Iodomethyl)oxepane. With the CAS registry number 130868-43-8, it is also named as 2-(Oodomethyl)-oxepane. Besides, its molecular weight is 240.08.

Physical properties about Oxepane,2-(iodomethyl)- are: (1)ACD/LogP: 2.49; (2)ACD/LogD (pH 5.5): 2.49; (3)ACD/LogD (pH 7.4): 2.49; (4)ACD/BCF (pH 5.5): 45.58; (5)ACD/BCF (pH 7.4): 45.58; (6)ACD/KOC (pH 5.5): 535.75; (7)ACD/KOC (pH 7.4): 535.75; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 9.23 Å2; (11)Index of Refraction: 1.517; (12)Molar Refractivity: 46.93 cm3; (13)Molar Volume: 155.1 cm3; (14)Polarizability: 18.6×10-24 cm3; (15)Surface Tension: 37.2 dyne/cm; (16)Density: 1.547 g/cm3; (17)Flash Point: 104.6 °C; (18)Enthalpy of Vaporization: 46.68 kJ/mol; (19)Boiling Point: 249.3 °C at 760 mmHg; (20)Vapour Pressure: 0.0365 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: ICC1OCCCCC1
(2)InChI: InChI=1/C7H13IO/c8-6-7-4-2-1-3-5-9-7/h7H,1-6H2
(3)InChIKey: GGGYXZYJTQDNEZ-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C7H13IO/c8-6-7-4-2-1-3-5-9-7/h7H,1-6H2
(5)Std. InChIKey: GGGYXZYJTQDNEZ-UHFFFAOYSA-N