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25117-32-2

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Basic Information
CAS No.: 25117-32-2
Name: 5-METHYLTETRADECANE
Molecular Structure:
Molecular Structure of 25117-32-2 (5-METHYLTETRADECANE)
Formula: C15H32
Molecular Weight: 212.419
Synonyms: 5-Methyltetradecane;NSC 158674;
Density: 0.768 g/cm3
Melting Point: -10.13°C (estimate)
Boiling Point: 262.8 °C at 760 mmHg
Flash Point: 88.4 °C
PSA: 0.00000
LogP: 5.95340
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Specification

This chemical is called Tetradecane, 5-methyl-, and its systematic name is 5-Methyltetradecane. With the molecular formula of C15H32, its molecular weight is 212.41. The CAS registry number of this chemical is 25117-32-2.

Other characteristics of the Tetradecane, 5-methyl- can be summarised as followings: (1)ACD/LogP: 8.54; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.54; (4)ACD/LogD (pH 7.4): 8.54; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1056141.63; (8)ACD/KOC (pH 7.4): 1056141.63; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 11; (12)Index of Refraction: 1.43; (13)Molar Refractivity: 71.5 cm3; (14)Molar Volume: 276.5 cm3; (15)Polarizability: 28.34×10-24cm3; (16)Surface Tension: 26.3 dyne/cm; (17)Density: 0.768 g/cm3; (18)Flash Point: 88.4 °C; (19)Enthalpy of Vaporization: 48.04 kJ/mol; (20)Boiling Point: 262.8 °C at 760 mmHg; (21)Vapour Pressure: 0.0174 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: C(CCCCCCCC(C)CCCC)C
2.InChI: InChI=1/C15H32/c1-4-6-8-9-10-11-12-14-15(3)13-7-5-2/h15H,4-14H2,1-3H3
3.InChIKey: SQKZZFHVQCSUHZ-UHFFFAOYAY