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81726-81-0

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Basic Information
CAS No.: 81726-81-0
Name: 1,15-Dibromopentadecane
Article Data: 9
Molecular Structure:
Molecular Structure of 81726-81-0 (1,15-Dibromopentadecane)
Formula: C15H30Br2
Molecular Weight: 370.211
Synonyms: 1,15-Dibromopentadecane
Density: 1.223 g/cm3
Boiling Point: 382.3 °C at 760 mmHg
Flash Point: 216.3 °C
PSA: 0.00000
LogP: 6.84750
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Specification

The cas register number of 1,15-Dibromopentadecane is 81726-81-0. The Systematic name about this chemical is 1,15-dibromopentadecane.

Physical properties about 1,15-Dibromopentadecane are: (1)ACD/LogP: 8.45; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.45; (4)ACD/LogD (pH 7.4): 8.45; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 939352.06; (8)ACD/KOC (pH 7.4): 939352.06; (9)#Freely Rotating Bonds: 14; (10)Index of Refraction: 1.487; (11)Molar Refractivity: 87 cm3; (12)Molar Volume: 302.5 cm3; (13)Polarizability: 34.49x10-24cm3; (14)Surface Tension: 34.5 dyne/cm; (15)Flash Point: 216.3 °C; (16)Enthalpy of Vaporization: 60.6 kJ/mol; (17)Boiling Point: 382.3 °C at 760 mmHg; (18)Vapour Pressure: 1.05E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCCCCCCCCCCCCCCCBr
(2)InChI: InChI=1/C15H30Br2/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17/h1-15H2
(3)InChIKey: MPCLDIKGVNAKFM-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C15H30Br2/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17/h1-15H2
(5)Std. InChIKey: MPCLDIKGVNAKFM-UHFFFAOYSA-N