Product Name

  • Name

    4-trans-Propylcyclohexyl-4'-pentylbiphenyl

  • EINECS
  • CAS No. 89356-09-2
  • Density 0.936 g/cm3
  • Solubility
  • Melting Point
  • Formula C26H36
  • Boiling Point 466.319 °C at 760 mmHg
  • Molecular Weight 348.56404
  • Flash Point 266.813 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 89356-09-2 (4-trans-Propylcyclohexyl-4'-pentylbiphenyl)
  • Hazard Symbols
  • Synonyms trans-4-(4-Propylcyclohexyl)-4'-pentyl-1,1'-biphenyl;
  • PSA 0.00000
  • LogP 8.16020

trans-4-(4-Propylcyclohexyl)-4'-pentyl-1,1'-biphenyl Specification

The CAS register number of trans-4-(4-Propylcyclohexyl)-4'-pentyl-1,1'-biphenyl is 89356-09-2. It also can be called as 1,1'-Biphenyl,4-pentyl-4'-(4-propylcyclohexyl)-, trans- (9CI) and the systematic name about this chemical is 1-pentyl-4-[4-(4-propylcyclohexyl)phenyl]benzene. The molecular formula about this chemical is C26H36 and the molecular weight is 348.56.

Physical properties about trans-4-(4-Propylcyclohexyl)-4'-pentyl-1,1'-biphenyl are: (1)ACD/LogP: 10.74; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.742; (4)ACD/LogD (pH 7.4): 10.742; (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)#Freely Rotating Bonds: 8; (10)Index of Refraction: 1.525; (11)Molar Refractivity: 114.114 cm3; (12)Molar Volume: 372.339 cm3; (13)Polarizability: 45.238x10-24cm3; (14)Surface Tension: 35.185 dyne/cm; (15)Flash Point: 266.813 °C; (16)Enthalpy of Vaporization: 70.023 kJ/mol; (17)Boiling Point: 466.319 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCc1ccc(cc1)c2ccc(cc2)[C@H]3CC[C@@H](CC3)CCC
(2)InChI: InChI=1/C26H36/c1-3-5-6-8-22-11-15-24(16-12-22)26-19-17-25(18-20-26)23-13-9-21(7-4-2)10-14-23/h11-12,15-21,23H,3-10,13-14H2,1-2H3/t21-,23-
(3)InChIKey: AYMDOUONESPFKB-AFARHQOCBC
(4)Std. InChI: InChI=1S/C26H36/c1-3-5-6-8-22-11-15-24(16-12-22)26-19-17-25(18-20-26)23-13-9-21(7-4-2)10-14-23/h11-12,15-21,23H,3-10,13-14H2,1-2H3/t21-,23-
(5)Std. InChIKey: AYMDOUONESPFKB-AFARHQOCSA-N

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