6-METHYL-1-HEPTENE

The CAS register number of 1-Heptene, 6-methyl- is 5026-76-6. It also can be called as 6-Methyl-1-heptene and the systematic name about this chemical is 6-methylhept-1-ene. The molecular formula about this chemical is C₈H₁₆ and the molecular weight is 112.21.

Physical properties about 1-Heptene, 6-methyl- are: (1)ACD/LogP: 4.31; (2)ACD/LogD (pH 5.5): 4.31; (3)ACD/LogD (pH 7.4): 4.31; (4)ACD/BCF (pH 5.5): 1115.2; (5)ACD/BCF (pH 7.4): 1115.2; (6)ACD/KOC (pH 5.5): 5283.16; (7)ACD/KOC (pH 7.4): 5283.16; (8)#Freely Rotating Bonds: 4; (9)Index of Refraction: 1.411; (10)Molar Refractivity: 38.79 cm³; (11)Molar Volume: 156 cm³; (12)Polarizability: 15.37x10^-24cm³; (13)Surface Tension: 21.6 dyne/cm; (14)Density: 0.719 g/cm³; (15)Flash Point: 15.5 °C; (16)Enthalpy of Vaporization: 33.64 kJ/mol; (17)Boiling Point: 112.4 °C at 760 mmHg; (18)Vapour Pressure: 25.7 mmHg at 25 °C.

Preparation: this chemical can be prepared by pentan-3-one and 1,1-dimethyl-5-hexenyl chloride. This reaction will need reagent of Li powder, 4,4'-di-tert-butylbiphenyl and solvent of tetrahydrofuran. This reaction needs two steps. The reaction time is 45 hours with reaction temperature of -78 °C. The yield is about 61%.

Uses of 1-Heptene, 6-methyl-: it can be used to produce (3-iodo-7-methyl-octane-1-sulfonyl)-benzene with iodomethyl-phenyl sulfone. This reaction will need reagent of benzoyl peroxide and solvent of benzene. The reaction time is 5 hours with reaction temperature of 100 °C. The yield is about 66%.

You can still convert the following datas into molecular structure:
(1)SMILES: C=C\CCCC(C)C
(2)InChI: InChI=1/C8H16/c1-4-5-6-7-8(2)3/h4,8H,1,5-7H2,2-3H3
(3)InChIKey: DFVOXRAAHOJJBN-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C8H16/c1-4-5-6-7-8(2)3/h4,8H,1,5-7H2,2-3H3
(5)Std. InChIKey: DFVOXRAAHOJJBN-UHFFFAOYSA-N