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Cyclooctadecane, 1,1,4,4,10,10,13,13-octamethyl-

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Name

Cyclooctadecane, 1,1,4,4,10,10,13,13-octamethyl-

EINECS N/A
CAS No. 23014-57-5 Density 0.771 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C26H52 Boiling Point 422 °C at 760 mmHg
Molecular Weight 364.699 Flash Point 205.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 23014-57-5 (1,1,4,4,10,10,13,13-octamethylcyclooctadecane) Hazard Symbols N/A
Synonyms

1,1,4,4,10,10,13,13-Octamethylcyclooctadecane;

 

Cyclooctadecane, 1,1,4,4,10,10,13,13-octamethyl- Specification

The CAS registry number of Cyclooctadecane, 1,1,4,4,10,10,13,13-octamethyl- is 23014-57-5. This chemical's molecular formula is C26H52 and molecular weight is 364.6911. What's more, both its IUPAC name and systematic name are the same which is called 1,1,4,4,10,10,13,13-Octamethylcyclooctadecane.

Physical properties about Cyclooctadecane, 1,1,4,4,10,10,13,13-octamethyl- are: (1) ACD/LogP: 14.29; (2) # of Rule of 5 Violations: 1; (3) ACD/LogD (pH 5.5): 14.29; (4) ACD/LogD (pH 7.4): 14.29; (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: 0; (12) Polar Surface Area: 0 Å2; (13) Index of Refraction: 1.422; (14) Molar Refractivity: 120.29 cm3; (15) Molar Volume: 472.9 cm3; (16) Polarizability: 47.68×10-24 cm3; (17) Surface Tension: 24.5 dyne/cm; (18) Density: 0.771 g/cm3; (19) Flash Point: 205.3 °C; (20) Enthalpy of Vaporization: 64.99 kJ/mol; (21) Boiling Point: 422 °C at 760 mmHg; (22) Vapour Pressure: 6.13E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: C1CCCCC(CCC(C)(C)CCCCCC(C)(C)CCC1(C)C)(C)C
(2) InChI: InChI=1/C26H52/c1-23(2)15-11-9-12-17-25(5,6)21-22-26(7,8)18-14-10-13-16-24(3,4)20-19-23/h9-22H2,1-8H3
(3) InChIKey: JNSFDAQIIASDIH-UHFFFAOYAN

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