5171-86-8

Basic information

• Product Name: 3,3,4,4-tetraethylhexane
• Synonyms: 3,3,4,4-Tetraethylhexane; hexane, 3,3,4,4-tetraethyl-
• CAS NO: 5171-86-8
• Molecular Formula: C₁₄H₃₀
• Molecular Weight: 198.388
• Mol File: 5171-86-8.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 257.06°C at 760 mmHg
• Flash Point: 104.071°C
• Density: 0.764g/cm³
• Vapor Pressure: 0.024mmHg at 25°C
• Refractive Index: 1.428
• CAS DataBase Reference: 3,3,4,4-tetraethylhexane(CAS DataBase Reference)
• NIST Chemistry Reference: 3,3,4,4-tetraethylhexane(5171-86-8)
• EPA Substance Registry System: 3,3,4,4-tetraethylhexane(5171-86-8)

Safety Data

• Hazardous Substances Data: 5171-86-8(Hazardous Substances Data)

Upstream product

• 994-25-2 3-ethyl-3-chloro-pentane 
• 42409-13-2 3,3'-Diethyl-(3,3'-azopentan) 
• 617-78-7 3-ethylpentane 
• 597-49-9 3-ethylpentan-3-ol 

Relevant articles and documents

Enthalpies of Formation of Hexaethylethane, Octamethylhexane, and Tri-tert-butylmethane. Extremely Strained Hydrocarbons

3,3,4,4-Tetraethylhexane (1) and 2,2,3,3,4,4,5,5-octamethylhexane (2) were synthesized from 3-ethylpentane and 2,2,3-trimethylbutane, respectively, by UV-irradiation with mercury in the gas phase. The enthalpies of combustion ΔHc° of 1, 2, and tri-tert-butylmethane (3) when measured calorimetrically were ΔHc° = -9467.2 ± 2.3, -9491.4 ± 2.3, and -8825.0 ± 4.3 kJ·mol-1, respectively. The enthalpies of vaporization of 1 and 2 and the enthalpy of sublimation of 3 were derived from the temperature dependence of their vapor pressures. The latter were determined by a flow method. The resulting standard enthalpies of formation were ΔHf° (g) = -265.5 ± 2.6, -248.3 ± 2.4, and -235.2 ± 4.3 kJ·mol-1 for 1, 2, and 3, respectively. They correspond to strain enthalpies (Hs) of 118.1, 177.2, and 156.1 kJ·mol-1, respectively, These values provide valuable test cases for semiempirical and empirical calculations.