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trans-4-(4-Methylcyclohexyl)biphenyl

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Name

trans-4-(4-Methylcyclohexyl)biphenyl

EINECS N/A
CAS No. 28864-96-2 Density 0.978 g/cm3
PSA 0.00000 LogP 5.64730
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 28864-96-2 (Biphenyl, 4-(4-methylcyclohexyl)-, trans-) Hazard Symbols N/A
Synonyms

Biphenyl,4-(4-methylcyclohexyl)-, trans- (8CI);

 

trans-4-(4-Methylcyclohexyl)biphenyl Specification

The cas register number of trans-4-(4-Methylcyclohexyl)biphenyl is 28864-96-2. It also can be called as 1,1'-Biphenyl,4-(trans-4-methylcyclohexyl)- and the Systematic name about this chemical is 1-(4-methylcyclohexyl)-4-phenyl-benzene.

Physical properties about trans-4-(4-Methylcyclohexyl)biphenyl are: (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)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.549; (11)Molar Refractivity: 81.415 cm3; (12)Molar Volume: 255.914 cm3; (13)Polarizability: 32.275x10-24cm3; (14)Surface Tension: 35.876 dyne/cm; (15)Enthalpy of Vaporization: 59.684 kJ/mol.

You can still convert the following datas into molecular 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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