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82991-48-8

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Basic Information
CAS No.: 82991-48-8
Name: 1-(4-PENTYLCYCLOHEXYL)-4-PROPYLBENZENE
Molecular Structure:
Molecular Structure of 82991-48-8 (1-(4-PENTYLCYCLOHEXYL)-4-PROPYLBENZENE)
Formula: C20H32
Molecular Weight: 272.47
Synonyms: 1-(trans-4'-Pentylcyclohexyl)-4-propylbenzene;
Density: 0.887 g/cm3
Boiling Point: 374.7 °C at 760 mmHg
Flash Point: 192.1 °C
PSA: 0.00000
LogP: 6.49320
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Specification

The Benzene,1-(trans-4-pentylcyclohexyl)-4-propyl-, with the CAS registry number 82991-48-8, is also known as 1-(trans-4'-Pentylcyclohexyl)-4-propylbenzene. This chemical's molecular formula is C20H32 and molecular weight is 272.47. What's more, its systematic name is 1-(4-pentylcyclohexyl)-4-propylbenzene. Its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].

Physical properties of Benzene,1-(trans-4-pentylcyclohexyl)-4-propyl- are: (1)ACD/LogP: 8.88; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.88; (4)ACD/LogD (pH 7.4): 8.88; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1609683.13; (8)ACD/KOC (pH 7.4): 1609683.13; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: Å2; (13)Index of Refraction: 1.494; (14)Molar Refractivity: 89.52 cm3; (15)Molar Volume: 307 cm3; (16)Polarizability: 35.48×10-24cm3; (17)Surface Tension: 32.5 dyne/cm; (18)Density: 0.887 g/cm3; (19)Flash Point: 178.7 °C; (20)Enthalpy of Vaporization: 59.77 kJ/mol; (21)Boiling Point: 374.7 °C at 760 mmHg; (22)Vapour Pressure: 1.77E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCc1ccc(cc1)[C@@H]2CC[C@@H](CCCCC)CC2
(2)Std. InChI: InChI=1S/C20H32/c1-3-5-6-8-18-11-15-20(16-12-18)19-13-9-17(7-4-2)10-14-19/h9-10,13-14,18,20H,3-8,11-12,15-16H2,1-2H3/t18-,20-
(3)Std. InChIKey: RXBBPIPXHBOXOU-KESTWPANSA-N