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| CAS No.: | 61693-08-1 |
|---|---|
| Name: | Hydrogenatedpolyisobutene |
| Molecular Structure: | |
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| Formula: | C33H68 |
| Molecular Weight: | 464.893 |
| Synonyms: | Heptadecane,2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16-hexadecamethyl-; |
| Density: | 0.81 g/cm3 |
| Boiling Point: | 486.1 °C at 760 mmHg |
| Flash Point: | 247.1 °C |
| PSA: | 0.00000 |
| LogP: | 11.96650 |
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Specification
The Hydrogenatedpolyisobutene, with the CAS registry number 61693-08-1, is also known as Heptadecane, 2, 2, 4, 4, 6, 6, 8, 8, 10, 10, 12, 12, 14, 14, 16, 16-hexadecamethyl-. This chemical's molecular formula is C33H68 and molecular weight is 464.893. What's more, its IUPAC name is 2, 2, 4, 4, 6, 6, 8, 8, 10, 10, 12, 12, 14, 14, 16, 16-Hexadecamethylheptadecane.
Physical properties about Hydrogenatedpolyisobutene are: (1)ACD/LogP: 15.36; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 15.36; (4)ACD/LogD (pH 7.4): 15.36; (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)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.451; (14)Molar Refractivity: 154.65 cm3; (15)Molar Volume: 573.6 cm3; (16)Polarizability: 61.31×10-24 cm3; (17)Surface Tension: 26.8 dyne/cm; (18)Density: 0.81 g/cm3; (19)Flash Point: 247.1 °C; (20)Enthalpy of Vaporization: 72.31 kJ/mol; (21)Boiling Point: 486.1 °C at 760 mmHg; (22)Vapour Pressure: 3.96E-09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: C(CC(CC(CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)C)(C)C)(C)C)(C)(C)C
(2) InChI: InChI=1/C33H68/c1-26(2,3)19-28(7,8)21-30(11,12)23-32(15,16)25-33(17,18)24-31(13,14)22-29(9,10)20-27(4,5)6/h19-25H2,1-18H3
(3) InChIKey: UCUGLVJQUIRCPK-UHFFFAOYAE