Name: (4-Pentylcyclohexy)benzene
SKU: 61203-96-1

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Basic Information

Molecular Structure:
CAS No.:	61203-96-1
Name:	(4-Pentylcyclohexy)benzene
Article Data:	2

Formula:	C₁₇H₂₆
Molecular Weight:	230.393
Synonyms:	trans-4-Pentylcyclohexylbenzene;
Density:	0.893 g/cm³
Boiling Point:	323.6 °C at 760 mmHg
Flash Point:	145.4 °C
PSA:	0.00000
LogP:	5.54070

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Specification

The (4-Pentylcyclohexy)benzene, with the CAS registry number of 61203-96-1, is also known as trans-4-Pentylcyclohexylbenzene. This chemical's molecular formula is C₁₇H₂₆ and molecular weight is 230.39. What's more, its systematic name is called (4-Pentylcyclohexyl)benzene.

Physical properties about (4-Pentylcyclohexy)benzene are: (1)ACD/LogP: 7.36; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.36; (4)ACD/LogD (pH 7.4): 7.36; (5)ACD/BCF (pH 5.5): 229150.73; (6)ACD/BCF (pH 7.4): 229150.73; (7)ACD/KOC (pH 5.5): 238973.78; (8)ACD/KOC (pH 7.4): 238973.78; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: Å²; (13)Index of Refraction: 1.496; (14)Molar Refractivity: 75.33 cm³; (15)Molar Volume: 257.7 cm³; (16)Surface Tension: 32.8 dyne/cm; (17)Density: 0.893 g/cm³; (18)Flash Point: 145.4 °C; (19)Enthalpy of Vaporization: 54.3 kJ/mol; (20)Boiling Point: 323.6 °C at 760 mmHg; (21)Vapour Pressure: 0.00049 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCCCC[C@H]1CC[C@@H](CC1)c2ccccc2
(2) InChI: InChI=1/C17H26/c1-2-3-5-8-15-11-13-17(14-12-15)16-9-6-4-7-10-16/h4,6-7,9-10,15,17H,2-3,5,8,11-14H2,1H3/t15-,17-
(3) InChIKey: FCAWXWGFZYRQJZ-JCNLHEQBBQ