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6418-44-6

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Basic Information
CAS No.: 6418-44-6
Name: 3-METHYLHEPTADECANE
Article Data: 2
Molecular Structure:
Molecular Structure of 6418-44-6 (3-METHYLHEPTADECANE)
Formula: C18H38
Molecular Weight: 254.5
Synonyms: 15-Methylheptadecane;3-Methylheptadecane;
Density: 0.78 g/cm3
Melting Point: -6.2°C
Boiling Point: 313.4 °C at 760 mmHg
Flash Point: 112.9 °C
PSA: 0.00000
LogP: 7.12370
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Specification

The Heptadecane, 3-methyl- is an organic compound with the formula C18H38. The IUPAC name of this chemical is 3-Methylheptadecane. The CAS registry number of this chemical is 6418-44-6. Besides, its molecular weight is 254.4943.

Physical properties about Heptadecane, 3-methyl- are: (1)ACD/LogP: 10.14; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.14; (4)ACD/LogD (pH 7.4): 10.14; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 7778320.5; (8)ACD/KOC (pH 7.4): 7778320.5; (9)#Freely Rotating Bonds: 14; (10)Index of Refraction: 1.436; (11)Molar Refractivity: 85.39 cm3; (12)Molar Volume: 326 cm3; (13)Polarizability: 33.85×10-24 cm3; (14)Surface Tension: 27.3 dyne/cm; (15)Density: 0.78 g/cm3; (16)Flash Point: 112.9 °C; (17)Enthalpy of Vaporization: 53.24 kJ/mol; (18)Boiling Point: 313.4 °C at 760 mmHg; (19)Vapour Pressure: 0.000916 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C18H38/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18(3)5-2/h18H,4-17H2,1-3H3
(2)InChIKey: HPDKJRSKBCPMIY-UHFFFAOYAI
(3)Std. InChI: InChI=1S/C18H38/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18(3)5-2/h18H,4-17H2,1-3H3
(4)Std. InChIKey: HPDKJRSKBCPMIY-UHFFFAOYSA-N