2132-86-7

Basic information

• Product Name: Benzene, (1-propylbutyl)-
• Synonyms: Benzene, (1-propylbutyl)-;(4-heptyl)benzene;(1-Propylbutyl)benzene;1-Propylbutylbenzene
• CAS NO: 2132-86-7
• Molecular Formula: C₁₃H₂₀
• Molecular Weight: 176.3
• Mol File: 2132-86-7.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 231.5°Cat760mmHg
• Flash Point: 86.1°C
• Appearance: /
• Density: 0.857g/cm³
• Vapor Pressure: 0.0941mmHg at 25°C
• Refractive Index: 1.481
• CAS DataBase Reference: Benzene, (1-propylbutyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzene, (1-propylbutyl)-(2132-86-7)
• EPA Substance Registry System: Benzene, (1-propylbutyl)-(2132-86-7)

Safety Data

• Hazardous Substances Data: 2132-86-7(Hazardous Substances Data)

Usage

InChI:InChI=1/C13H20/c1-4-11-13(3,5-2)12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3

Upstream product

• 589-55-9 heptan-4-ol 
• 71-43-2 benzene 
• 114302-28-2 heptan-3-ylbenzene 
• 29949-11-9 α,α-dipropylbenzeneacetonitrile 
• 589-82-2 heptan-3-ol 
• 52390-72-4 2-Heptanol 
• 111-70-6 n-heptan1ol 
• 4883-85-6 3-(toluene-4-sulfonyloxy)-heptane 
• 5011-57-4 2-heptyltoluene-p-sulphonate 
• 4883-86-7 4-heptyltoluene-p-sulphonate 
• 24767-82-6 1-heptyl 4-methylbenzenesulfonate 
• 4436-96-8 4-Phenyl-4-heptanol 
• 592-76-7 1-Heptene 

Downstream Products

• 114302-28-2 heptan-3-ylbenzene 
• 776312-12-0 4-(1-propylbutyl)benzaldehyde 
• 748814-13-3 1-nitro-4-(1-propyl-butyl)-benzene 

Relevant articles and documents

Electron-Transfer and Hydride-Transfer Pathways in the Stoltz–Grubbs Reducing System (KOtBu/Et3SiH)

Recent studies by Stoltz, Grubbs et al. have shown that triethylsilane and potassium tert-butoxide react to form a highly attractive and versatile system that shows (reversible) silylation of arenes and heteroarenes as well as reductive cleavage of C?O bonds in aryl ethers and C?S bonds in aryl thioethers. Their extensive mechanistic studies indicate a complex network of reactions with a number of possible intermediates and mechanisms, but their reactions likely feature silyl radicals undergoing addition reactions and SH2 reactions. This paper focuses on the same system, but through computational and experimental studies, reports complementary facets of its chemistry based on a) single-electron transfer (SET), and b) hydride delivery reactions to arenes.

Equilibria of isomeric transformations and relations between thermodynamic properties of secondary alkylbenzenes

Equilibria of mutual transformations of monoamylbenzenes and diamylbenzenes (AmB), monohexylbenzenes (HxB), monoheptylbenzenes (HpB), and monodecylbenzenes (DB) have been studied in the liquid state over the range 273 to 423 K in the presence of 3 to 9 mass per cent of AlCl3.Values of ΔfH0m and ΔfS0m for the reactions studied have been calculated from the temperature dependences of the equilibrium constants.Below are given the reactions and the corresponding values for ΔfH0m/(kJ.mol-1) and ΔfS0m/(J.K-1.mol-1): 3-AmB=2-AmB, -(0.16 +/- 0.08), (8.45 +/- 0.23); 3-HxB=2-HxB, -(0.30 +/- 0.07), (3.85 +/- 0.21); 3-HpB=2-HpB, -(0.21 +/- 0.07), (3.52 +/- 0.22); 3-DB=2-DB, -(0.23 +/- 0.14), (3.51 +/- 0.43); 4-HpB=3-HpB, (0.02 +/- 0.41), (7.57 +/- 1.29); 4-DB=3-DB, (0.09 +/- 0.41), (1.69 +/- 1.28); 5-DB=4-DB, -(0.01 +/- 0.09), (0.18 +/- 0.25).For para-to-meta transformations of diamylbenzenes the average molar reaction enthalpy is -(0.26 +/- 0.46)kJ.mol-1 and the intrinsic change of molar entropy is -(0.99 +/- 1.2)J.K-1.mol-1.It is shown that for the calculation of enthalpies of formation of secondary alkylbenzenes correlations can be used which do not take into account the position of the phenyl substituent on the aliphatic hydrocarbon chain.The calculation of enthalpies of formation of normal and secondary alkylbenzenes in the liquid state at 298.15 K is made on the basis of experimental and literature values.