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Decane, 4-methyl-

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Name

Decane, 4-methyl-

EINECS N/A
CAS No. 2847-72-5 Density 0.742 g/cm3
PSA 0.00000 LogP 4.39300
Solubility N/A Melting Point -92°C
Formula C11H24 Boiling Point 187.4 °C at 760 mmHg
Molecular Weight 156.312 Flash Point 49.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 2847-72-5 (4-METHYLDECANE) Hazard Symbols N/A
Synonyms

(?à)-4-Methyldecane;4-Methyldecane;

Article Data 8

Decane, 4-methyl- Specification

The Decane, 4-methyl- has the CAS registry number 2847-72-5. This chemical's molecular formula is C11H24 and molecular weight is 156.30826. Its IUPAC name is called 4-methyldecane.

Physical properties of Decane, 4-methyl-: (1)ACD/LogP: 6.42; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.42; (4)ACD/LogD (pH 7.4): 6.42; (5)#Freely Rotating Bonds: 7; (6)Index of Refraction: 1.417; (7)Molar Refractivity: 52.96 cm3; (8)Molar Volume: 210.4 cm3; (9)Surface Tension: 24.2 dyne/cm; (10)Density: 0.742 g/cm3; (11)Flash Point: 49.4 °C; (12)Enthalpy of Vaporization: 40.7 kJ/mol; (13)Boiling Point: 187.4 °C at 760 mmHg; (14)Vapour Pressure: 0.869 mmHg at 25°C.

Preparation of Decane, 4-methyl-: this chemical can be prepared by 2-iodo-octane. This reaction will need reagent n-Pr2Cu(CN)Li2 and solvent tetrahydrofuran. The reaction time is 1 hour with reaction temperature of -78 °C. The yield is about 90%.

Decane, 4-methyl- can be prepared by 2-iodo-octane

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCC(C)CCC
(2)InChI: InChI=1S/C11H24/c1-4-6-7-8-10-11(3)9-5-2/h11H,4-10H2,1-3H3
(3)InChIKey: DVWZNKLWPILULD-UHFFFAOYSA-N

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