Naphthalene, dodecyl-

The Naphthalene, dodecyl-, with the CAS registry number 38641-16-6, is also known as Dodecylnaphthalene. Its EINECS number is 254-054-7. This chemical's molecular formula is C₂₂H₃₂ and molecular weight is 296.49. What's more, its systematic name is 1-dodecylnaphthalene. It should be sealed and stored in a cool and dry place.

Physical properties of Naphthalene, dodecyl- are: (1)ACD/LogP: 9.75; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.75; (4)ACD/BCF (pH 5.5): 1000000; (5)ACD/KOC (pH 5.5): 4820881.5; (6)#Freely Rotating Bonds: 11; (7)Index of Refraction: 1.534; (8)Molar Refractivity: 99.97 cm³; (9)Molar Volume: 321.4 cm³; (10)Polarizability: 39.63×10^-24cm³; (11)Surface Tension: 35.6 dyne/cm; (12)Density: 0.922 g/cm³; (13)Flash Point: 228.5 °C; (14)Enthalpy of Vaporization: 64.41 kJ/mol; (15)Boiling Point: 416.8 °C at 760 mmHg; (16)Vapour Pressure: 8.99E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-chloro-dodecane, naphthalen-1-yl-boronic acid at the temperature of 20 °C. This reaction will need reagents Pd(OAc)₂, 1,3,5,7-Me4-6-(2,4-MeO₂-Ph)-2,4,8-trioxa-6-phosphaadamantane, potassium tert-butoxide and solvent dioxane with the reaction time of 29 hours. The yield is about 59%.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cccc2cccc(c12)CCCCCCCCCCCC
(2)InChI: InChI=1S/C22H32/c1-2-3-4-5-6-7-8-9-10-11-15-20-17-14-18-21-16-12-13-19-22(20)21/h12-14,16-19H,2-11,15H2,1H3
(3)InChIKey: UVMGANPLBFFQIO-UHFFFAOYSA-N