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88701-15-9

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Basic Information
CAS No.: 88701-15-9
Name: 4-trans-pentylcyclohexyl-4'-propylbiphenyl
Molecular Structure:
Molecular Structure of 88701-15-9 (4-trans-pentylcyclohexyl-4'-propylbiphenyl)
Formula: C26H36
Molecular Weight: 348.56404
Synonyms: 1,1'-Biphenyl,4-(4-pentylcyclohexyl)-4'-propyl-, trans-;
Density: 0.936g/cm3
Boiling Point: 466.319 °C at 760 mmHg
Flash Point: 266.813 °C
PSA: 0.00000
LogP: 8.16020
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Specification

The trans-4-(4-Pentylcyclohexyl)-4'-propyl-1,1'-biphenyl with cas registry number of 88701-15-9, has the systematic name of 1-(4-pentylcyclohexyl)-4-(4-propylphenyl)benzene. And the usage of this chemical is Intermediates of Liquid Crystals.

Physical properties about this chemical 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)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 114.114 cm3; (15)Molar Volume: 372.339 cm3; (16)Polarizability: 45.238×10-24cm3; (17)Surface Tension: 35.185 dyne/cm; (18)Enthalpy of Vaporization: 70.023 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: CCCCC[C@H]1CC[C@@H](CC1)c2ccc(cc2)c3ccc(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/h9-10,13-14,17-20,22,24H,3-8,11-12,15-16H2,1-2H3/t22-,24-;
(3)InChIKey: ONKZZKBVESXVHY-HCGLCNNCBS;
(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/h9-10,13-14,17-20,22,24H,3-8,11-12,15-16H2,1-2H3/t22-,24-;
(5)Std. InChIKey: ONKZZKBVESXVHY-HCGLCNNCSA-N