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Name |
Tetratetracontane |
EINECS | 230-407-0 |
CAS No. | 7098-22-8 | Density | 0.82 g/cm3 |
PSA | 0.00000 | LogP | 17.41040 |
Solubility | Insoluble in water | Melting Point |
85-87 °C(lit.) |
Formula | C44H90 | Boiling Point | 547.6 °C at 760 mmHg |
Molecular Weight | 619.199 | Flash Point | 448.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
NSC 102262;n-Tetratetracontane; |
Article Data | 3 |
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