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CAS No.: | 68551-15-5 |
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Name: | Alkanes, C8-10-iso- |
Molecular Structure: | |
Formula: | C9H20 |
Molecular Weight: | 128.2551 |
Synonyms: | Alkanes, C8-10-iso-;ISOALKANES, C8-10) |
EINECS: | 271-364-8 |
Density: | 0.722 g/cm3 |
Boiling Point: | 143.3 °C at 760 mmHg |
Flash Point: | 25.2 °C |
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The Alkanes, C8-10-iso-, with CAS registry number 68551-15-5, has the systematic name of 2-methyloctane. Besides this, it is also called octane, 2-methyl-. Its classification code is TSCA UVCB. And the chemical formula of this chemical is C9H20. What's more, its EINECS is 271-364-8.
Physical properties of Alkanes, C8-10-iso-: (1)ACD/LogP: 5.35; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.35; (4)ACD/LogD (pH 7.4): 5.35; (5)ACD/BCF (pH 5.5): 6899.04; (6)ACD/BCF (pH 7.4): 6899.04; (7)ACD/KOC (pH 5.5): 19471.34; (8)ACD/KOC (pH 7.4): 19471.34; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.407; (14)Molar Refractivity: 43.7 cm3; (15)Molar Volume: 177.4 cm3; (16)Polarizability: 17.32×10-24cm3; (17)Surface Tension: 22.7 dyne/cm; (18)Density: 0.722 g/cm3; (19)Flash Point: 25.2 °C; (20)Enthalpy of Vaporization: 36.48 kJ/mol; (21)Boiling Point: 143.3 °C at 760 mmHg; (22)Vapour Pressure: 6.73 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)CCCCCC
(2)InChI: InChI=1/C9H20/c1-4-5-6-7-8-9(2)3/h9H,4-8H2,1-3H3
(3)InChIKey: ZUBZATZOEPUUQF-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C9H20/c1-4-5-6-7-8-9(2)3/h9H,4-8H2,1-3H3
(5)Std. InChIKey: ZUBZATZOEPUUQF-UHFFFAOYSA-N