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CAS No.: | 80955-71-1 |
---|---|
Name: | [trans(trans)]-4-(4-pentylcyclohexyl)-4'-(4-propylcyclohexyl)biphenyl |
Molecular Structure: | |
Formula: | C32H46 |
Molecular Weight: | 430.717 |
Synonyms: | 1,1'-Biphenyl,4-(4-pentylcyclohexyl)-4'-(4-propylcyclohexyl)-, [trans(trans)]-;4-(trans-4-Pentylcyclohexyl)-4'-(trans-4-propylcyclohexyl)biphenyl;CBC 53;S1544; |
EINECS: | 279-636-8 |
Density: | 0.939 g/cm3 |
Boiling Point: | 544.1 °C at 760 mmHg |
Flash Point: | 327 °C |
PSA: | 0.00000 |
LogP: | 10.28160 |
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The 1,1'-Biphenyl,4-(trans-4-pentylcyclohexyl)-4'-(trans-4-propylcyclohexyl)-, with the CAS registry number 80955-71-1, is also known as trans,trans-4'-(4-Propyl-cyclohexyl)-4-(4-pentyl-cyclohexyl)-biphenyl. Its EINECS registry number is 279-636-8. This chemical's molecular formula is C32H46 and molecular weight is 430.70764. What's more, its systematic name is called 4-(trans-4-Pentylcyclohexyl)-4'-(trans-4-propylcyclohexyl)biphenyl.
Physical properties about 1,1'-Biphenyl,4-(trans-4-pentylcyclohexyl)-4'-(trans-4-propylcyclohexyl)- are: (1)ACD/LogP: 13.19; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 13.19; (4)ACD/LogD (pH 7.4): 13.19; (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: Å2; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 139.75 cm3; (15)Molar Volume: 458.2 cm3; (16)Surface Tension: 35.7 dyne/cm; (17)Density: 0.939 g/cm3; (18)Flash Point: 327 °C; (19)Enthalpy of Vaporization: 79.18 kJ/mol; (20)Boiling Point: 544.1 °C at 760 mmHg; (21)Vapour Pressure: 2.41E-11 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CCC[C@@H]1CC[C@H](CC1)c2ccc(cc2)c3ccc(cc3)[C@@H]4CC[C@@H](CCCCC)CC4
(2) InChI: InChI=1/C32H46/c1-3-5-6-8-26-11-15-28(16-12-26)30-19-23-32(24-20-30)31-21-17-29(18-22-31)27-13-9-25(7-4-2)10-14-27/h17-28H,3-16H2,1-2H3/t25-,26-,27-,28-
(3) InChIKey: PJBOOKMLDPERRS-PCYFZWJMBA