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26818-08-6

Basic Information
CAS No.: 26818-08-6
Name: 1-bromooctan-2-one
Article Data: 42
Molecular Structure:
Molecular Structure of 26818-08-6 (1-bromooctan-2-one)
Formula: C8H15BrO
Molecular Weight: 207.111
Synonyms: 1-Bromo-2-octanone;Bromomethyl hexyl ketone;
EINECS: 248-014-8
Density: 1.211 g/cm3
Boiling Point: 233.2 °C at 760 mmHg
Flash Point: 37.3 °C
PSA: 17.07000
LogP: 2.92080
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Specification

The CAS register number of 2-Octanone, 1-bromo- is 26818-08-6. It also can be called as Bromomethyl hexyl ketone and the IUPAC name about this chemical is 1-bromooctan-2-one. The molecular formula about this chemical is C8H15BrO and the molecular weight is 207.1081.

Physical properties about 2-Octanone, 1-bromo- are: (1)ACD/LogP: 3.20; (2)ACD/LogD (pH 5.5): 3.2; (3)ACD/LogD (pH 7.4): 3.2; (4)ACD/BCF (pH 5.5): 158.3; (5)ACD/BCF (pH 7.4): 158.3; (6)ACD/KOC (pH 5.5): 1306.15; (7)ACD/KOC (pH 7.4): 1306.15; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 17.07 Å2; (11)Index of Refraction: 1.46; (12)Molar Refractivity: 46.87 cm3; (13)Molar Volume: 170.8 cm3; (14)Polarizability: 18.58x10-24cm3; (15)Surface Tension: 32.3 dyne/cm; (16)Density: 1.211 g/cm3; (17)Flash Point: 37.3 °C; (18)Enthalpy of Vaporization: 46.99 kJ/mol; (19)Boiling Point: 233.2 °C at 760 mmHg; (20)Vapour Pressure: 0.0565 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCC(=O)CCCCCC
(2)InChI: InChI=1/C8H15BrO/c1-2-3-4-5-6-8(10)7-9/h2-7H2,1H3
(3)InChIKey: YVQBIERXAUCGHI-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C8H15BrO/c1-2-3-4-5-6-8(10)7-9/h2-7H2,1H3
(5)Std. InChIKey: YVQBIERXAUCGHI-UHFFFAOYSA-N