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84540-36-3

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Basic Information
CAS No.: 84540-36-3
Name: trans-4-butyl-4'-(4-pentylcyclohexyl)-1,1'-biphenyl
Molecular Structure:
Molecular Structure of 84540-36-3 (trans-4-butyl-4'-(4-pentylcyclohexyl)-1,1'-biphenyl)
Formula: C27H38
Molecular Weight: 362.59062
Synonyms: 1,1'-Biphenyl,4-butyl-4'-(4-pentylcyclohexyl)-, trans-;
EINECS: 283-129-7
Density: 0.932 g/cm3
Boiling Point: 479 °C at 760 mmHg
Flash Point: 276.7 °C
PSA: 0.00000
LogP: 8.55030
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Specification

The trans-4-Butyl-4'-(4-pentylcyclohexyl)-1,1'-biphenyl, with CAS registry number 84540-36-3, has the systematic name of 4-butyl-4'-(4-pentylcyclohexyl)biphenyl. And its IUPAC name is 1-butyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene. What's more, its EINECS is 283-129-7.

Physical properties of trans-4-Butyl-4'-(4-pentylcyclohexyl)-1,1'-biphenyl: (1)ACD/LogP: 11.17; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 11.17; (4)ACD/LogD (pH 7.4): 11.17; (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: 9; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 118.74 cm3; (15)Molar Volume: 388.8 cm3; (16)Polarizability: 47.07×10-24cm3; (17)Surface Tension: 35.1 dyne/cm; (18)Enthalpy of Vaporization: 71.49 kJ/mol; (19)Vapour Pressure: 7.09E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ccc1c2ccc(cc2)C3CCC(CCCCC)CC3)CCCC
(2)InChI: InChI=1/C27H38/c1-3-5-7-9-23-12-16-25(17-13-23)27-20-18-26(19-21-27)24-14-10-22(11-15-24)8-6-4-2/h10-11,14-15,18-21,23,25H,3-9,12-13,16-17H2,1-2H3
(3)InChIKey: JYNBIXBHAKVVBW-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C27H38/c1-3-5-7-9-23-12-16-25(17-13-23)27-20-18-26(19-21-27)24-14-10-22(11-15-24)8-6-4-2/h10-11,14-15,18-21,23,25H,3-9,12-13,16-17H2,1-2H3
(5)Std. InChIKey: JYNBIXBHAKVVBW-UHFFFAOYSA-N