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Sigma-Aldrich

2,3-Dimethylheptane

98%

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About This Item

Linear Formula:
CH3(CH2)3CH(CH3)CH(CH3)2
CAS Number:
Molecular Weight:
128.26
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

98%

form

liquid

refractive index

n20/D 1.409 (lit.)

bp

140 °C (lit.)

density

0.726 g/mL at 25 °C (lit.)

SMILES string

CCCCC(C)C(C)C

InChI

1S/C9H20/c1-5-6-7-9(4)8(2)3/h8-9H,5-7H2,1-4H3

InChI key

WBRFDUJXCLCKPX-UHFFFAOYSA-N

General description

2,3-Dimethylheptane is a branched saturated aliphatic hydrocarbon. It is one of the isomer of nonane. Henry′s law constant (solubility) of 2,3-dimethylheptane has been analyzed using characteristic and counting polynomials. Its standard heat of formation, combustion and vapourization at 25°C has been calculated.

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

195.8 °F - closed cup

Flash Point(C)

91 °C - closed cup


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Characteristic and counting polynomials: modelling nonane isomers properties.
Jantschi L, et al.
Molecular Simulations, 35(3), 220-227 (2009)
Heats of Formation, Combustion, and Vaporization of the 35 Nonanes and 75 Decanes.
Labauf A, et al.
Journal of Chemical and Engineering Data, 6(2), 261-263 (1961)
Heidi Birch et al.
Chemosphere, 174, 716-721 (2017-02-17)
During simulation-type biodegradation tests, volatile chemicals will continuously partition between water phase and headspace. This study addressed how (1) this partitioning affects test results and (2) can be accounted for by combining equilibrium partition and dynamic biodegradation models. An aqueous

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