17312-72-0

Basic information

• Product Name: 4,4-DIPROPYLHEPTANE
• Synonyms: heptane,4,4-dipropyl-;4,4-DIPROPYLHEPTANE
• CAS NO: 17312-72-0
• Molecular Formula: C₁₃H₂₈
• Molecular Weight: 184.36
• Mol File: 17312-72-0.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 222.6 °C at 760 mmHg
• Flash Point: 84.4 °C
• Appearance: /
• Density: 0.755 g/cm³
• Vapor Pressure: 0.15mmHg at 25°C
• Refractive Index: 1.423
• CAS DataBase Reference: 4,4-DIPROPYLHEPTANE(CAS DataBase Reference)
• NIST Chemistry Reference: 4,4-DIPROPYLHEPTANE(17312-72-0)
• EPA Substance Registry System: 4,4-DIPROPYLHEPTANE(17312-72-0)

Safety Data

• Hazardous Substances Data: 17312-72-0(Hazardous Substances Data)

Usage

Uses

Tetrapropylmethane can be used to investigate the effect of molecular size and shape on the volume behavior of binary liquid mixtures for branched and cyclic alkanes.

InChI:InChI=1/C13H28/c1-7-9-13(10-8-2,11(3)4)12(5)6/h11-12H,7-10H2,1-6H3

Upstream product

• 52939-61-4 4-hydroxy-4-n-propyl-1,6-heptadiene 
• 466657-75-0 4,4-dipropyl-1-heptene 
• 106-95-6 allyl bromide 
• 99862-75-6 4-chloro-4-propylheptane 
• 927-77-5 n-propylmagnesium bromide 
• 2198-72-3 4-propylheptan-4-ol 
• 123-19-3 4-heptanone 

Relevant articles and documents

Conformational studies by dynamic NMR. 91. Conformational stereodynamics of tetraethylmethane and analogous C(CH2X)4 compounds

Variable-temperature NMR studies of tetraethylmethane (1a), tetrapropylmethane (1b), tetrachloromethylmethane (1c), tetrabromomethylmethane (1d), tetracyclopropylmethylmethane (1e), and tetrabenzylmethane (1f) show a range of dynamic behavior. Separate signals for two types of conformation are observed for 1a, 1c, and 1d at low temperatures, with more than 95% of the molecules in a time-averaged D2d conformation, and the S4 conformation as the minor populated alternative. Compound 1e populates only S4-type conformations but equilibrates slowly between degenerate versions of these at low temperatures. Compounds 1b and 1f show a temperature-dependent spectrum but the low-temperature limit spectrum could not be observed. Ab initio calculations agree well with experiment on the conformational equilibria and suggest in particular that compounds 1b and 1f behave similarly to compounds 1a and 1e, respectively. A crystal structure of compound 1f is reported.