-
Name
4-[trans-4(trans-4-Propylcyclohexyl) cyclohexyl]toluene 4-[trans-4(trans-4-Propylcyclohexyl)cyclohexyl]toluene
- EINECS
- CAS No. 84656-75-7
- Density 0.93 g/cm3
- Solubility
- Melting Point 110 °C
- Formula C22H34
- Boiling Point 406.546 °C at 760 mmHg
- Molecular Weight 298.51
- Flash Point 197.113 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms Benzene,1-methyl-4-(4'-propyl[1,1'-bicyclohexyl]-4-yl)-, [trans(trans)]-;1-Methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;4-[trans-4(trans-4-Propylcyclohexyl) cyclohexyl]toluene;
- PSA 0.00000
- LogP 6.87530
Benzene,1-methyl-4-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]- Specification
The Benzene,1-methyl-4-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]-, with the CAS registry number 84656-75-7, is also known as 4-[trans-4(trans-4-Propylcyclohexyl) cyclohexyl]toluene. This chemical's molecular formula is C22H34 and molecular weight is 396.6. What's more, its systematic name is 1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene.
Physical properties of Benzene,1-methyl-4-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]- are: (1)ACD/LogP: 9.19; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.185; (4)ACD/LogD (pH 7.4): 9.185; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 2364356.75; (8)ACD/KOC (pH 7.4): 2364356.75; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.514; (11)Molar Refractivity: 96.613 cm3; (12)Molar Volume: 321.096 cm3; (13)Polarizability: 38.3×10-24cm3; (14)Surface Tension: 35.099 dyne/cm; (15)Density: 0.93 g/cm3; (16)Flash Point: 197.113 °C; (17)Enthalpy of Vaporization: 63.269 kJ/mol; (18)Boiling Point: 406.546 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: CCC[C@H]1CC[C@@H](CC1)[C@H]2CCC(CC2)c3ccc(cc3)C
(2)InChI: InChI=1S/C22H34/c1-3-4-18-7-11-20(12-8-18)22-15-13-21(14-16-22)19-9-5-17(2)6-10-19/h5-6,9-10,18,20-22H,3-4,7-8,11-16H2,1-2H3/t18-,20-,21?,22-
(3)InChIKey: SDESCXGEQILYTQ-LPUFRXLOSA-N
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