110582
2,5-二甲基己烷
99%
别名:
二异丁基
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关于此项目
线性分子式:
(CH3)2CHCH2CH2CH(CH3)2
化学文摘社编号:
分子量:
114.23
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
209-745-8
Beilstein/REAXYS Number:
1696877
MDL number:
Assay:
99%
InChI key
UWNADWZGEHDQAB-UHFFFAOYSA-N
InChI
1S/C8H18/c1-7(2)5-6-8(3)4/h7-8H,5-6H2,1-4H3
SMILES string
CC(C)CCC(C)C
vapor pressure
1.1 psi ( 37.7 °C)
assay
99%
refractive index
n20/D 1.392 (lit.)
bp
108 °C (lit.)
density
0.694 g/mL at 25 °C (lit.)
Quality Level
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Application
2,5-Dimethylhexane has been used to study excess entropy scaling relationships for analyzing its kinetic properties using molecular simulation.
signalword
Danger
hcodes
Hazard Classifications
Aquatic Acute 1 - Aquatic Chronic 1 - Asp. Tox. 1 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Central nervous system
存储类别
3 - Flammable liquids
wgk
WGK 2
flash_point_f
78.8 °F - closed cup
flash_point_c
26 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Ravi Chopra et al.
The journal of physical chemistry. B, 114(49), 16487-16493 (2010-11-26)
We use molecular simulation to study the ability of excess entropy scaling relationships to describe the kinetic properties of four hydrocarbon isomers: n-octane, 2,2-dimethylhexane, 2,5-dimethylhexane, and 3-methyl-3-ethylpentane. Four dynamic properties are considered: translational and rotational diffusivities, a characteristic relaxation time
Barbara Nozière et al.
Angewandte Chemie (International ed. in English), 58(39), 13976-13982 (2019-07-31)
The autoxidation of organic peroxy radicals (RO2 ) into hydroperoxy-alkyl radicals (QOOH), then hydroperoxy-peroxy radicals (HOOQO2 ) is now considered to be important in the Earth's atmosphere. To avoid mechanistic uncertainties these reactions are best studied by monitoring the radicals.
Michael A Wheeler et al.
Cell, 176(3), 581-596 (2019-01-22)
Genome-wide studies have identified genetic variants linked to neurologic diseases. Environmental factors also play important roles, but no methods are available for their comprehensive investigation. We developed an approach that combines genomic data, screens in a novel zebrafish model, computational
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