Isopropylcyclohexane

Name: Isopropylcyclohexane
SKU: ACM696297-1
Rating: 5 (1 reviews)

CAS

696-29-7

Catalog Number

ACM696297-1

Category

Alkanes

Molecular Weight

126.24

Molecular Formula

C9H18

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Specification

Synonyms

Hexahydrocumene

Complexity

Defined Atom Stereocenter Count

Exact Mass

126.1408

Formal Charge

Hazard Statements

H225-H304-H315-H336-H410

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

Monoisotopic Mass

126.1408

RIDADR

UN 2922 6.1(8) / PGIII

Rotatable Bond Count

Symbol

GHS02

Topological Polar Surface Area

0 Å²

XLogP3-AA

4.3

Study on the Pyrolysis of Isopropylcyclohexane at High Pressure and Temperature

Hossain, Subharaj, et al. Combustion and Flame, 2023, 256, 112773.

Isopropylcyclohexane (IPCH), a structurally simple alkylcyclohexane, combines features of branched alkanes and cyclohexanes, making it a representative model for studying heavy alkylcycloalkane behavior in real fuels. To elucidate alkylcyclohexane decomposition pathways and aromatic formation mechanisms, IPCH pyrolysis was investigated under transportation fuel-relevant conditions (923-1523 K, 9.8-20.2 bar).
Key Findings
· Mole fraction profiles for 27 products were obtained using gas chromatography (GC) with a flame ionization detector (FID), and a GC-MS was employed for product identification. At elevated temperatures, ethene emerged as the predominant product, followed by acetylene. Among aromatic compounds, benzene was the most abundant, followed by toluene.
· Rate of production (ROP) analysis indicates that IPCH consumption is driven by unimolecular decomposition processes (specifically, C3H7 and CH3 elimination) and H-abstraction reactions.
· According to sensitivity analysis the C3H7 elimination pathway stands out as the primary factor affecting IPCH consumption. Formation of aromatic products relies heavily on the cyclohexyl radical (cC6H11) because its β-C-H scission process (cC6H11 = cC6H10 + H) enhances aromatic creation while its ring-opening isomerization reaction (cC6H11 = P6XC6H11-1E) reduces aromatic output.

Study on Density and Viscosity of Ternary Fuel System of Isopropylcyclohexane + n-Tridecane + n-Butanol

Lei, Quan, et al. Journal of Chemical & Engineering Data, 2020, 65(8), 3977-3987.

The addition of additives can alter the fundamental physical properties of fuels. For instance, alcohols influence aviation fuel performance, where density and viscosity are critical parameters. This study systematically measured the density (ρ) and viscosity (η) of a ternary system comprising isopropylcyclohexane (1), n-tridecane (2), and n-butanol (3), as well as its related binary systems, across the full composition range from 293.15 to 333.15 K at atmospheric pressure (p = 0.1 MPa) to explore the physical characteristics of alcohol-containing endothermic hydrocarbon fuels.
Key Findings
· Excess molar volumes (V_m^E) and viscosity deviations (Δη) were calculated from experimental data.
· Binary systems with n-butanol showed large |V_m^E| and |Δη| due to disrupted hydrogen bonds and weakened dipole interactions among alcohol molecules.
In contrast, the isopropylcyclohexane + n-tridecane binary system exhibited minimal V_m^E and Δη, reflecting near-ideal mixing.
· For the ternary system, V_m^E values were positive and Δη values negative across all compositions, correlating with semiempirical models (Singh, Cibulka, Nagata-Tamura, Redlich-Kister). These trends, akin to alcohol-containing binaries, stem from hydrogen bond disruption.