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6418-45-7

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Basic Information
CAS No.: 6418-45-7
Name: 3-METHYLNONADECANE
Molecular Structure:
Molecular Structure of 6418-45-7 (3-METHYLNONADECANE)
Formula: C20H42
Molecular Weight: 282.553
Synonyms: 3-Methylnonadecane;
Density: 0.786 g/cm3
Melting Point: 8°C
Boiling Point: 341.3 °C at 760 mmHg
Flash Point: 126.1 °C
PSA: 0.00000
LogP: 7.90390
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Specification

The CAS register number of Nonadecane, 3-methyl- is 6418-45-7. The IUPAC name about this chemical is 3-methylnonadecane. The molecular formula about this chemical is C20H42 and the molecular weight is 282.55.

Physical properties about Nonadecane, 3-methyl- are: (1)ACD/LogP: 11.20; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 11.2; (4)ACD/LogD (pH 7.4): 11.2; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#Freely Rotating Bonds: 16; (10)Index of Refraction: 1.44; (11)Molar Refractivity: 94.66 cm3; (12)Molar Volume: 359 cm3; (13)Polarizability: 37.52x10-24cm3; (14)Surface Tension: 27.9 dyne/cm; (15)Density: 0.786 g/cm3; (16)Flash Point: 126.1 °C; (17)Enthalpy of Vaporization: 56.18 kJ/mol; (18)Boiling Point: 341.3 °C at 760 mmHg; (19)Vapour Pressure: 0.00016 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: C(CCCCCCCC(C)CC)CCCCCCCC
(2)InChI: InChI=1/C20H42/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(3)5-2/h20H,4-19H2,1-3H3
(3)InChIKey: NYRRMADCQLTNBX-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C20H42/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(3)5-2/h20H,4-19H2,1-3H3
(5)Std. InChIKey: NYRRMADCQLTNBX-UHFFFAOYSA-N