406-82-6

Basic information

• Product Name: 1,1,1-Trifluoropentane
• Synonyms: 1,1,1-Trifluoropentane;Pentane, 1,1,1-trifluoro-;Nsc20544
• CAS NO: 406-82-6
• Molecular Formula: C₅H₉F₃
• Molecular Weight: 126.1201696
• Mol File: 406-82-6.mol

Chemical Properties

• Boiling Point: 70.48°C (rough estimate)
• Appearance: /
• Density: 0.9890
• Vapor Pressure: 217mmHg at 25°C
• Refractive Index: 1.3100
• CAS DataBase Reference: 1,1,1-Trifluoropentane(CAS DataBase Reference)
• NIST Chemistry Reference: 1,1,1-Trifluoropentane(406-82-6)
• EPA Substance Registry System: 1,1,1-Trifluoropentane(406-82-6)

Safety Data

• Hazardous Substances Data: 406-82-6(Hazardous Substances Data)

Usage

Uses

Used in Refrigeration Industry:
1,1,1-Trifluoropentane is used as a refrigerant due to its low boiling point and excellent chemical stability, providing efficient cooling and heat transfer properties.
Used in Polyurethane Production:
1,1,1-Trifluoropentane is used as a blowing agent in the production of polyurethane insulation and foam, helping to create lightweight and insulating materials with improved energy efficiency.
Used in Aerospace Industry:
1,1,1-Trifluoropentane is used in the aerospace industry for its low boiling point and chemical stability, making it suitable for various applications such as heat transfer fluids and propellants.
Used in Automotive Industry:
1,1,1-Trifluoropentane is used in the automotive industry for its low boiling point and chemical stability, making it suitable for applications such as refrigerants in air conditioning systems and heat transfer fluids.
Used in Construction Industry:
1,1,1-Trifluoropentane is used in the construction industry for its low boiling point and chemical stability, making it suitable for applications such as blowing agents in the production of insulation materials and foams.
Environmental Considerations:
Due to its impact on the environment as a potent greenhouse gas with a high global warming potential, the use of 1,1,1-Trifluoropentane is regulated. Efforts are being made to develop alternative substances that are more environmentally friendly.

InChI:InChI=1/C5H9F3/c1-2-3-4-5(6,7)8/h2-4H2,1H3

Upstream product

• 106-98-9 1-butylene 
• 2314-97-8 iodotrifluoromethane 
• 74-85-1 ethene 
• 407-25-0 trifluoroacetic anhydride 
• 460-37-7 1,1,1-trifluoro-3-iodopropane 
• 75-03-6 ethyl iodide 

Downstream Products

• 352-59-0 5-Chlor-1,1,1-trifluor-pentan 
• 431-63-0 1,1,1,2,3,3-hexafluoropropane 
• 2994-71-0 perfluoro-(1,2-dimethylcyclobutane) 
• 87894-38-0 1,2,2-trifluoro-1-trifluoromethyl-4-(3,3,3-trifluoropropyl)cyclobutane 
• 87894-39-1 1,1,1,6,6,7,8,8,8-nonafluoro-oct-2-ene 
• 87894-41-5 1,1,1,2,3,3,7,7,7-nonafluoro-4-methylheptane 
• 87894-40-4 1,2,2-trifluoro-1-trifluoromethyl-4-(3,3,3-trifluoroprop-1-enyl)cyclobutane 

Relevant articles and documents

Fluorine substitution effects on the alkyl coupling reaction on a Ag(111) surface

We have investigated fluorine substitution effects on the rate of coupling of adsorbed alkyl groups on a Ag(111) surface. Alkyl groups are formed by thermal dissociation of the C-I bond in adsorbed alkyl iodides. Variable heating rate temperature programmed reaction (TPR) studies were used to determine the kinetic parameters for the coupling of ethyl groups and propyl groups. They are Ea = 15.1 ± 0.6 kcal/mol, v = 1016.7±0.8 s-1 and Ea = 16.9 ± 0.4 kcal/mol, v = 1017.1±0.4 s-1, respectively. Substitution of fluorine for hydrogen in the adsorbed alkyl groups systematically raises the coupling reaction temperature. For example, trifluoropropyl groups self-couple at temperatures ～70 K higher than propyl groups on Ag(111). Coadsorbed propyl and trifluoropropyl groups cross-couple at temperatures ～10 K higher than the propyl self-coupling reaction. The kinetic parameters evaluated from the results of this study and from results of earlier studies by X.-L. Zhou, J. M. White, and co-workers [Surf. Sci. 1989, 219, 294; Catal. Lett. 1989, 2, 375; J. Phys. Chem. 1991, 95, 5575] are used to plot linear free energy relationships (LFER) which provide insight into the electronic nature of the reaction center. The implication of the LFER plots for the surface alkyl coupling reaction is that the reaction center in the transition state is electron deficient with respect to the initial state.

KINETICS OF REACTIONS OF C3., C5. AND C7. ALKYL RADICALS FORMED IN THE CF3. + C2H4 SYSTEM, I. DETERMINATION OF THE RATE COEFFICIENTS

n-Propyl, n-pentyl and n-heptyl free radicals (with perfluorinated methyl groups) were generated by the photolysis of perfluoroacetic anhydride (PFAA) in the presence of ethylene.Reaction products up to dodecanes were identified and measured under various experimental conditions, i.e. at different ethylene concentrations, / ratios, reaction temperatures and incident light intensities.Disproportionation/combination ratios were obtained for the n-propyl, n-pentyl and s-heptyl free radicals.The rates of addition of the C3. and C5. radicals were studied at 300 and 362 K.The rate coefficient ratios kaddition/kcombination1/2 of (4.04+/-0.69)E-3 and (2.72+/-0.66)E-3 dm3/2 mol-1/2 s-1/2 were determined at room temperature for the n-propyl and n-pentyl radicals, respectively.The activation energies obtained were 27.8 kJ mol-1 for C3. addition and 26.8 kJ mol-1 for C5. addition.Isomerisation of the n-heptyl radical by 1,5-hydrogen shift was observed to occur and the isomerization rate coefficient relative to that of C7. self-combination, kisomeriz/kcomb1/2=(5.8+/-1.0)E-5 mol1/2 dm-3/2 s-1/2, was determined at room temperature.The kinetic results for addition and isomerization reactions are discussed in the light of available literature data.

Addition of Free Radicals to Unsaturated Systems. Part 23. Photochemical and Thermal Reactions of Trifluoroiodomethane with But-2-ene and But-1-ene

Photochemically-initiated addition of trifluoroiodomethane to but-2-ene gives as the major product the 1:1 adduct 2-iodo-3-trifluoromethylbutane as a mixture of the erythro- and threo-isomers together with compounds formed via dehydroiodination of the 1:1 adduct.Reduction of the 1:1 adduct to 2-trifluoromethylbutane is a major process when the reaction tube is shaken.Under thermal conditions fewer products arising via dehydroiodination of the 1:1 adduct are detected, but products formed via isomerisation of the reactant olefin to but-1-ene are present in low yield.With but- 1-ene initial bidirectional CF3 radical attack takes place to give the 1:1 adducts 1,1,1-trifluoro-3-iodopentane and 1-iodo-2-trifluoromethylbutane in the ratio ca. 19:1.Products are also formed via isomerisation of the reactant olefin and via dehydroiodination of the 1:1 adducts.