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cis-4-(4-Methylcyclohexyl)biphenyl

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Name

cis-4-(4-Methylcyclohexyl)biphenyl

EINECS N/A
CAS No. 28864-95-1 Density 0.978 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C19H22 Boiling Point 373.897 °C at 760 mmHg
Molecular Weight 250.384 Flash Point 195.257 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 28864-95-1 (Biphenyl, 4-(4-methylcyclohexyl)-, cis-) Hazard Symbols N/A
Synonyms

cis-4-(4-Methylcyclohexyl)biphenyl;Biphenyl,4-(4-methylcyclohexyl)-, cis-;

 

cis-4-(4-Methylcyclohexyl)biphenyl Specification

The systematic name of cis-4-(4-Methylcyclohexyl)biphenyl is 1-(4-methylcyclohexyl)-4-phenyl-benzene. With the CAS registry number 28864-95-1, it is also named as Biphenyl,4-(4-methylcyclohexyl)-, cis-. In addition, its molecular formula is C19H22 and molecular weight is 250.38.

The other characteristics of cis-4-(4-Methylcyclohexyl)biphenyl can be summarized as: (1)ACD/LogP: 7.14; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.142; (4)ACD/LogD (pH 7.4): 7.142; (5)ACD/BCF (pH 5.5): 157723.875; (6)ACD/BCF (pH 7.4): 157723.875; (7)ACD/KOC (pH 5.5): 182907.625; (8)ACD/KOC (pH 7.4): 182907.625; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.549; (13)Molar Refractivity: 81.415 cm3; (14)Molar Volume: 255.914 cm3; (15)Polarizability: 32.275×10-24cm3; (16)Surface Tension: 35.876 dyne/cm; (17)Density: 0.978 g/cm3; (18)Flash Point: 195.257 °C; (19)Enthalpy of Vaporization: 59.684 kJ/mol; (20)Boiling Point: 373.897 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: C[C@H]1CC[C@@H](CC1)c2ccc(cc2)c3ccccc3
(2)InChI: InChI=1/C19H22/c1-15-7-9-17(10-8-15)19-13-11-18(12-14-19)16-5-3-2-4-6-16/h2-6,11-15,17H,7-10H2,1H3/t15-,17-
(3)InChIKey: ZDBSZEIYGNYRCE-JCNLHEQBBZ
(4)Std. InChI: InChI=1S/C19H22/c1-15-7-9-17(10-8-15)19-13-11-18(12-14-19)16-5-3-2-4-6-16/h2-6,11-15,17H,7-10H2,1H3/t15-,17-
(5)Std. InChIKey: ZDBSZEIYGNYRCE-JCNLHEQBSA-N

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