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| Name |
1,1'-Biphenyl,4,4'-bis(trans-4-propylcyclohexyl)- |
EINECS | N/A |
| CAS No. | 85600-56-2 | Density | 0.947 g/cm3 |
| PSA | 0.00000 | LogP | 9.50140 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C30H42 | Boiling Point | 520.713 °C at 760 mmHg |
| Molecular Weight | 402.662 | Flash Point | 308.928 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1,1'-Biphenyl,4,4'-bis(4-propylcyclohexyl)-, [trans(trans)]-;4,4'-Bis(trans-4-propylcyclohexyl)biphenyl;4-(trans-4-Propylcyclohexyl)-4'-(trans-4-propylcyclohexyl)biphenyl;CBC 33; |
1,1'-Biphenyl,4,4'-bis(trans-4-propylcyclohexyl)- Specification
The systematic name of 1,1'-Biphenyl,4,4'-bis(trans-4-propylcyclohexyl)- is 1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene. With the CAS registry number 85600-56-2, it is also named as 4,4'-Bis(trans-4-propylcyclohexyl)biphenyl. In addition, its molecular formula is C30H42 and its molecular weight is 402.662.
The other characteristics of 1,1'-Biphenyl,4,4'-bis(trans-4-propylcyclohexyl)- can be summarized as: (1)ACD/LogP: 12.23; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 12.231; (4)ACD/LogD (pH 7.4): 12.231; (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: 7; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 130.487 cm3; (15)Molar Volume: 425.284 cm3; (16)Polarizability: 51.729×10-24cm3; (17)Surface Tension: 35.919 dyne/cm; (18)Density: 0.947 g/cm3; (19)Flash Point: 308.928 °C; (20)Enthalpy of Vaporization: 76.385 kJ/mol; (21)Boiling Point: 520.713 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: CCC[C@H]1CC[C@@H](CC1)c2ccc(cc2)c3ccc(cc3)C4CCC(CC4)CCC
(2)InChI: InChI=1/C30H42/c1-3-5-23-7-11-25(12-8-23)27-15-19-29(20-16-27)30-21-17-28(18-22-30)26-13-9-24(6-4-2)10-14-26/h15-26H,3-14H2,1-2H3/t23-,24,25-,26
(3)InChIKey: LUCHFKBTWHPREI-XTXCFSEZBX
(4)Std. InChI: InChI=1S/C30H42/c1-3-5-23-7-11-25(12-8-23)27-15-19-29(20-16-27)30-21-17-28(18-22-30)26-13-9-24(6-4-2)10-14-26/h15-26H,3-14H2,1-2H3/t23-,24,25-,26
(5)Std. InChIKey: LUCHFKBTWHPREI-XTXCFSEZSA-N
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