N-TETRATETRACONTANE

The Tetratetracontane, with the CAS registry number 7098-22-8, is also known as n-Tetratetracontane. It belongs to the product categories of Acyclic; Alkanes; Organic Building Blocks; Chemical Class; Hydrocarbons; Neats Alphabetic; TA - TE; Alpha Sort; Neats Volatiles/ Semivolatiles; T-ZAlphabetic. Its EINECS registry number is 230-407-0. This chemical's molecular formula is C₄₄H₉₀ and molecular weight is 619.1854. Its IUPAC name is called tetratetracontane.

Physical properties of Tetratetracontane: (1)ACD/LogP: 24.14; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 24.13; (4)ACD/LogD (pH 7.4): 24.13; (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: 41; (10)Index of Refraction: 1.457; (11)Molar Refractivity: 205.89 cm³; (12)Molar Volume: 754.8 cm³; (13)Surface Tension: 31.1 dyne/cm; (14)Density: 0.82 g/cm³; (15)Flash Point: 448.2 °C; (16)Enthalpy of Vaporization: 79.6 kJ/mol; (17)Boiling Point: 547.6 °C at 760 mmHg; (18)Vapour Pressure: 1.74E-11 mmHg at 25°C.

Preparation of Tetratetracontane: this chemical can be prepared by C₅₀H₉₈S₄. This reaction will need reagent Raney nickel and solvent cyclohexane. The reaction time is 120 min. The yield is about 70%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
(2)InChI: InChI=1S/C44H90/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-44H2,1-2H3
(3)InChIKey: KMXFZRSJMDYPPG-UHFFFAOYSA-N