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85668-76-4

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Basic Information
CAS No.: 85668-76-4
Name: 5,6-Dibutyl-5,6-bis(4-tert-butylphenyl)decane
Molecular Structure:
Molecular Structure of 85668-76-4 (5,6-Dibutyl-5,6-bis(4-tert-butylphenyl)decane)
Formula: C38H62
Molecular Weight: 518.8989
Synonyms: Benzene, 1,1'-(1,1,2,2-tetrabutyl-1,2-ethanediyl)bis[4-(1,1-dimethylethyl)-;
Density: 0.891 g/cm3
Boiling Point: 566.3 °C at 760 mmHg
Flash Point: 344.2 °C
PSA: 0.00000
LogP: 12.21820
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Specification

The 5,6-Dibutyl-5,6-bis(4-tert-butylphenyl)decane, with the CAS registry number 85668-76-4, is also known as Benzene, 1,1'-(1,1,2,2-tetrabutyl-1,2-ethanediyl)bis[4-(1,1-dimethylethyl)-. This chemical's molecular formula is C38H62 and molecular weight is 518.89888. What's more, its IUPAC name is called 1-tert-Butyl-4-[5,6-dibutyl-6-(4-tert-butylphenyl)decan-5-yl]benzene.

Physical properties about 5,6-Dibutyl-5,6-bis(4-tert-butylphenyl)decane are: (1) ACD/LogP: 15.85; (2) # of Rule of 5 Violations: 2; (3) ACD/LogD (pH 5.5): 15.85; (4) ACD/LogD (pH 7.4): 15.85; (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: 17; (12) Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.496; (14) Molar Refractivity: 170.33 cm3; (15) Molar Volume: 582.1 cm3; (16) Surface Tension: 30.8 dyne/cm; (17) Density: 0.891 g/cm3; (18) Flash Point: 344.2 °C; (19) Enthalpy of Vaporization: 81.87 kJ/mol; (20) Boiling Point: 566.3 °C at 760 mmHg; (21) Vapour Pressure: 2.94E-12 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(ccc1C(C(c2ccc(cc2)C(C)(C)C)(CCCC)CCCC)(CCCC)CCCC)C(C)(C)C
(2) InChI: InChI=1/C38H62/c1-11-15-27-37(28-16-12-2,33-23-19-31(20-24-33)35(5,6)7)38(29-17-13-3,30-18-14-4)34-25-21-32(22-26-34)36(8,9)10/h19-26H,11-18,27-30H2,1-10H3
(3) InChIKey: DMHYTJAITPRFFD-UHFFFAOYAX