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CAS No.: | 319906-43-9 |
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Name: | 9H-Fluorene, 2-iodo-9,9-dioctyl- |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C29H41I |
Molecular Weight: | 516.549 |
Synonyms: | 2-Iodo-9,9-dioctyl-9H-fluorene; |
Density: | 1.168 g/cm3 |
Boiling Point: | 549.5 °C at 760 mmHg |
Flash Point: | 245.8 °C |
PSA: | 0.00000 |
LogP: | 10.05890 |
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The 9H-Fluorene, 2-iodo-9,9-dioctyl- has the CAS registry number 319906-43-9. This chemical's molecular formula is C29H41I and molecular weight is 516.54. What's more, its systematic name is 2-iodo-9,9-dioctyl-9H-fluorene.
Physical properties of 9H-Fluorene, 2-iodo-9,9-dioctyl- are: (1)ACD/LogP: 13.67; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 13.67; (4)ACD/LogD (pH 7.4): 13.67; (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)Index of Refraction: 1.55; (13)Molar Refractivity: 140.85 cm3; (14)Molar Volume: 442 cm3; (15)Polarizability: 55.83×10-24cm3; (16)Surface Tension: 40 dyne/cm; (17)Density: 1.168 g/cm3; (18)Flash Point: 245.8 °C; (19)Enthalpy of Vaporization: 79.84 kJ/mol; (20)Boiling Point: 549.5 °C at 760 mmHg; (21)Vapour Pressure: 1.45E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic2ccc3c1ccccc1C(CCCCCCCC)(CCCCCCCC)c3c2
(2)Std. InChI: InChI=1S/C29H41I/c1-3-5-7-9-11-15-21-29(22-16-12-10-8-6-4-2)27-18-14-13-17-25(27)26-20-19-24(30)23-28(26)29/h13-14,17-20,23H,3-12,15-16,21-22H2,1-2H3
(3)Std. InChIKey: NURXGIBWRJKTJO-UHFFFAOYSA-N