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| CAS No.: | 5026-76-6 |
|---|---|
| Name: | 6-METHYL-1-HEPTENE |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C8H16 |
| Molecular Weight: | 112.215 |
| Synonyms: | 2-Methyl-6-heptene;6-Methyl-1-heptene;6-methyl-hept-1-ene; |
| Density: | 0.719 g/cm3 |
| Melting Point: | -103.01°C (estimate) |
| Boiling Point: | 112.4 °C at 760 mmHg |
| Flash Point: | 15.5 °C |
| PSA: | 0.00000 |
| LogP: | 2.99870 |
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- Total:6 Page 1 of 1 1
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Specification
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%.
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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%.
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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