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1-Heptene, 5-methyl-

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Name

1-Heptene, 5-methyl-

EINECS
CAS No. 13151-04-7 Density 0.719 g/cm3
Solubility Melting Point
Formula C8H16 Boiling Point 112.4 °C at 760 mmHg
Molecular Weight 112.21 Flash Point 15.5 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 13151-04-7 (1-Heptene, 5-methyl-) Hazard Symbols
Synonyms

5-Methyl-1-heptene;NSC 249818;5-methylhept-1-ene;

 

1-Heptene, 5-methyl- Specification

The 1-Heptene, 5-methyl-, with the CAS registry number 13151-04-7, is also known as 5-Methyl-1-heptene. This chemical's molecular formula is C8H16 and molecular weight is 112.21. What's more, its systematic name is 5-methylhept-1-ene.

Physical properties of 1-Heptene, 5-methyl- are: (1)ACD/LogP: 4.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.31; (4)ACD/LogD (pH 7.4): 4.31; (5)ACD/BCF (pH 5.5): 1115.2; (6)ACD/BCF (pH 7.4): 1115.2; (7)ACD/KOC (pH 5.5): 5283.16; (8)ACD/KOC (pH 7.4): 5283.16; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.411; (14)Molar Refractivity: 38.79 cm3; (15)Molar Volume: 156 cm3; (16)Polarizability: 15.37×10-24 cm3; (17)Surface Tension: 21.6 dyne/cm; (18)Density: 0.719 g/cm3; (19)Flash Point: 15.5 °C; (20)Enthalpy of Vaporization: 33.64 kJ/mol; (21)Boiling Point: 112.4 °C at 760 mmHg; (22)Vapour Pressure: 25.7 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C=C\CCC(C)CC
(2)InChI: InChI=1/C8H16/c1-4-6-7-8(3)5-2/h4,8H,1,5-7H2,2-3H3
(3)InChIKey: WNEYWVBECXCQRT-UHFFFAOYAX

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