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28598-83-6

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Basic Information
CAS No.: 28598-83-6
Name: Decane
Article Data: 6
Molecular Structure:
Molecular Structure of 28598-83-6 (Decane)
Formula: C10H20BrCl
Molecular Weight: 255.626
Synonyms: 1-Bromo-10-chlorodecane;
Density: 1.171 g/cm3
Boiling Point: 283.5 °C at 760 mmHg
Flash Point: 166.7 °C
PSA: 0.00000
LogP: 4.74090
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Specification

The Decane, 1-bromo-10-chloro- has the CAS registry number 28598-83-6. This chemical's molecular formula is C10H20BrCl and molecular weight is 255.62. What's more, its systematic name is 1-bromo-10-chlorodecane.

Physical properties of Decane, 1-bromo-10-chloro- are: (1)ACD/LogP: 5.61; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.61; (4)ACD/LogD (pH 7.4): 5.61; (5)ACD/BCF (pH 5.5): 10853.13; (6)ACD/BCF (pH 7.4): 10853.13; (7)ACD/KOC (pH 5.5): 26930.18; (8)ACD/KOC (pH 7.4): 26930.18; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Index of Refraction: 1.47; (13)Molar Refractivity: 60.95 cm3; (14)Molar Volume: 218.1 cm3; (15)Polarizability: 24.16×10-24cm3; (16)Surface Tension: 32.4 dyne/cm; (17)Density: 1.171 g/cm3; (18)Flash Point: 166.7 °C; (19)Enthalpy of Vaporization: 50.14 kJ/mol; (20)Boiling Point: 283.5 °C at 760 mmHg; (21)Vapour Pressure: 0.0054 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCCCCCCCCCCCl
(2)InChI: InChI=1S/C10H20BrCl/c11-9-7-5-3-1-2-4-6-8-10-12/h1-10H2
(3)InChIKey: AMJBCNIDVLQCBR-UHFFFAOYSA-N