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CAS No.: | 64835-63-8 |
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Name: | 4-methyl-4'-pentyl-1,1'-biphenyl |
Molecular Structure: | |
Formula: | C18H22 |
Molecular Weight: | 238.373 |
Synonyms: | 4-Methyl-4'-pentylbiphenyl;4-Pentyl-4'-methylbiphenyl; |
EINECS: | 265-248-6 |
Density: | 0.94 g/cm3 |
Melting Point: | 47.0 to 51.0 °C |
Boiling Point: | 350.5 °C at 760 mmHg |
Flash Point: | 177.2 °C |
PSA: | 0.00000 |
LogP: | 5.39470 |
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The CAS registry number of 1,1'-Biphenyl,4-methyl-4'-pentyl- is 64835-63-8. With the EINECS registry number 265-248-6, its systematic name is 4-methyl-4'-pentylbiphenyl. In addition, the molecular formula is C18H22 and the molecular weight is 238.37. What's more, it should be stored in sealed container, and put in a cool and dry place.
Physical properties about 1,1'-Biphenyl,4-methyl-4'-pentyl- are: (1)ACD/LogP: 7.02; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.02; (4)ACD/LogD (pH 7.4): 7.02; (5)ACD/BCF (pH 5.5): 127685.49; (6)ACD/BCF (pH 7.4): 127685.49; (7)ACD/KOC (pH 5.5): 157236.63; (8)ACD/KOC (pH 7.4): 157236.63; (9)#Freely Rotating Bonds: 5; (10)Index of Refraction: 1.537; (11)Molar Refractivity: 79.11 cm3; (12)Molar Volume: 253.3 cm3; (13)Polarizability: 31.36 ×10-24cm3; (14)Surface Tension: 34.5 dyne/cm; (15)Density: 0.94 g/cm3; (16)Flash Point: 177.2 °C; (17)Enthalpy of Vaporization: 57.17 kJ/mol; (18)Boiling Point: 350.5 °C at 760 mmHg; (19)Vapour Pressure: 8.83E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ccc1CCCCC)c2ccc(cc2)C
(2)Std. InChI: InChI=1S/C18H22/c1-3-4-5-6-16-9-13-18(14-10-16)17-11-7-15(2)8-12-17/h7-14H,3-6H2,1-2H3
(3)Std. InChIKey: ZGBOHJUSTPZQPL-UHFFFAOYSA-N