Merck
CN

110582

Sigma-Aldrich

2,5-二甲基己烷

99%

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别名:
二异丁基
线性分子式:
(CH3)2CHCH2CH2CH(CH3)2
CAS号:
分子量:
114.23
Beilstein:
1696877
EC 号:
MDL编号:
PubChem化学物质编号:
NACRES:
NA.22

蒸汽压

1.1 psi ( 37.7 °C)

检测方案

99%

折射率

n20/D 1.392 (lit.)

bp

108 °C (lit.)

密度

0.694 g/mL at 25 °C (lit.)

SMILES字符串

CC(C)CCC(C)C

InChI

1S/C8H18/c1-7(2)5-6-8(3)4/h7-8H,5-6H2,1-4H3

InChI key

UWNADWZGEHDQAB-UHFFFAOYSA-N

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应用

2,5-Dimethylhexane has been used to study excess entropy scaling relationships for analyzing its kinetic properties using molecular simulation.

警示用语:

Danger

危险分类

Aquatic Acute 1 - Aquatic Chronic 1 - Asp. Tox. 1 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

靶器官

Central nervous system

储存分类代码

3 - Flammable liquids

WGK

WGK 2

闪点(°F)

78.8 °F - closed cup

闪点(°C)

26 °C - closed cup

个人防护装备

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


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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

实验方案

Protocol for GC Analysis of Hydrocarbons in Gasoline on Petrocol® DH

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