26527-76-4

Basic information

• Product Name: Cyclohexane, 1,1'-(1,2-diethyl-1,2-dimethyl-1,2-ethanediyl)bis-
• Synonyms: Cyclohexane,1,1'-(1,2-diethyl-1,2-dimethyl-1,2-ethanediyl)bis;3,4-Dimethyl-3,4-dicyclohexyl-hexan;3,4-Dicyclohexyl-3,4-dimethylhexan;meso-3,4-Dicyclohexyl-3,4-dimethylhexan;DL-4,4-Dicyclohexyl-3,4-diphenylhexan
• CAS NO: 26527-76-4
• Molecular Formula: C20H38
• Molecular Weight: 278.522
• Mol File: 26527-76-4.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 352.7oC at 760 mmHg
• Flash Point: 159.8oC
• Density: 0.878g/cm3
• Refractive Index: 1.5070 (estimate)
• CAS DataBase Reference: Cyclohexane, 1,1'-(1,2-diethyl-1,2-dimethyl-1,2-ethanediyl)bis-(CAS DataBase Reference)
• NIST Chemistry Reference: Cyclohexane, 1,1'-(1,2-diethyl-1,2-dimethyl-1,2-ethanediyl)bis-(26527-76-4)
• EPA Substance Registry System: Cyclohexane, 1,1'-(1,2-diethyl-1,2-dimethyl-1,2-ethanediyl)bis-(26527-76-4)

Safety Data

• Hazardous Substances Data: 26527-76-4(Hazardous Substances Data)

Upstream product

• 10192-93-5 3,4-dimethyl-3,4-diphenylhexane 

Downstream Products

• 7058-01-7 sec-butylcyclohexane 

Relevant articles and documents

Thermolabile Hydrocarbons, XIII. 3,4-Dicyclohexyl-3,4-dimethylhexane - Standard Heat of Formation, Thermal Stability, and Structure

The heat of formation of the title compound 2 was determined by combustion calorimetry: ΔHf0(g) = -71.6 (+/-0.7) kcal * mol-1.The high strain enthalpy HS = 35.0 kcal * mol-1 derived therefrom explains the low thermal stability of 2 1/2 = 1 h at 250 deg C; ΔH* = 52.1 (+/-1.5) kcal * mol-1; ΔS* = 22 (+/-3) e. u.>.In the X-ray structure of 2 the strain is recognized in long bonds (Cq - Cq = 162.7 pm) and bond angle deformations up to 117.5 deg within the ethyl- and cyclohexyl groups.The experimental enthalpy- and structural data are compared with those calculated by five different force fields .Allinger's MM2 force field proved to be superior to the others and provided excellent agreement between experiment and calculations.