Hexane (data page)
Encyclopedia

Material Safety Data Sheet



The handling of this chemical may incur notable safety precautions. It is highly recommend that you seek the Material Safety Datasheet (MSDS
Material safety data sheet
A Material Safety Data Sheet is a form with data regarding the properties of a particular substance....

) for this chemical from a reliable source and follow its directions.

Structure and properties


Structure and properties
Index of refraction, nD 1.3749 at 20°C
Abbe number
Abbe number
In physics and optics, the Abbe number, also known as the V-number or constringence of a transparent material, is a measure of the material's dispersion in relation to the refractive index...

?
Dielectric constant
Dielectric constant
The relative permittivity of a material under given conditions reflects the extent to which it concentrates electrostatic lines of flux. In technical terms, it is the ratio of the amount of electrical energy stored in a material by an applied voltage, relative to that stored in a vacuum...

, εr
1.890 ε0 at 20 °C
Bond strength
Bond strength
In chemistry, bond strength is measured between two atoms joined in a chemical bond. It is the degree to which each atom linked to another atom contributes to the valency of this other atom...

?
Bond length
Bond length
- Explanation :Bond length is related to bond order, when more electrons participate in bond formation the bond will get shorter. Bond length is also inversely related to bond strength and the bond dissociation energy, as a stronger bond will be shorter...

?
Bond angle ?
Magnetic susceptibility
Magnetic susceptibility
In electromagnetism, the magnetic susceptibility \chi_m is a dimensionless proportionality constant that indicates the degree of magnetization of a material in response to an applied magnetic field...

?
Surface tension
Surface tension
Surface tension is a property of the surface of a liquid that allows it to resist an external force. It is revealed, for example, in floating of some objects on the surface of water, even though they are denser than water, and in the ability of some insects to run on the water surface...

20.5 dyn/cm at 0°C
18.4 dyn/cm at 20°C
13.4 dyn/cm at 68°C
Viscosity
Viscosity
Viscosity is a measure of the resistance of a fluid which is being deformed by either shear or tensile stress. In everyday terms , viscosity is "thickness" or "internal friction". Thus, water is "thin", having a lower viscosity, while honey is "thick", having a higher viscosity...

0.4012 mPa·s at 0°C
0.3258 mPa·s at 20°C
0.2798 mPa·s at 40°C
0.2288 mPa·s at 80°C

Thermodynamic properties


Phase behavior
Triple point
Triple point
In thermodynamics, the triple point of a substance is the temperature and pressure at which the three phases of that substance coexist in thermodynamic equilibrium...

178.0 K (–95.1 °C), 1.23 Pa
Critical point 507.6 K (234.5 °C), 3020 kPa
Std enthalpy change
of fusion, ΔfusHo
13 kJ/mol
Std entropy change
of fusion
Standard entropy change of fusion
The entropy of fusion is the increase in entropy when melting a substance. This is always positive since the degree of disorder increases in the transition from an organized crystalline solid to the disorganized structure of a liquid...

, ΔfusSo
70 J/(mol·K)
Std enthalpy change
of vaporization
Standard enthalpy change of vaporization
The enthalpy of vaporization, , also known as the heat of vaporization or heat of evaporation, is the energy required to transform a given quantity of a substance into a gas at a given pressure .It is often measured at the normal boiling point of a substance; although tabulated values are usually...

, ΔvapHo
28.85 kJ/mol at 68.8°C
Std entropy change
of vaporization
Standard entropy change of vaporization
The entropy of vaporization is the increase in entropy when vaporizing a substance. This is always positive since the degree of disorder increases in the transition from an organized crystalline solid or a slightly less organized liquid to the extremely disorganized structure of a gas...

, ΔvapSo
? J/(mol·K)
Solid properties
Std enthalpy change
of formation
Standard enthalpy change of formation
The standard enthalpy of formation or standard heat of formation of a compound is the change of enthalpy that accompanies the formation of 1 mole of a substance in its standard state from its constituent elements in their standard states...

, ΔfHosolid
? kJ/mol
Standard molar entropy
Standard molar entropy
In chemistry, the standard molar entropy is the entropy content of one mole of substance, under standard conditions ....

,
Sosolid
? J/(mol K)
Heat capacity
Heat capacity
Heat capacity , or thermal capacity, is the measurable physical quantity that characterizes the amount of heat required to change a substance's temperature by a given amount...

, cp
? J/(mol K)
Liquid properties
Std enthalpy change
of formation
Standard enthalpy change of formation
The standard enthalpy of formation or standard heat of formation of a compound is the change of enthalpy that accompanies the formation of 1 mole of a substance in its standard state from its constituent elements in their standard states...

, ΔfHoliquid
–198.7 kJ/mol
Standard molar entropy
Standard molar entropy
In chemistry, the standard molar entropy is the entropy content of one mole of substance, under standard conditions ....

,
Soliquid
295 J/(mol K)
Enthalpy of combustion, ΔcHo –4163 kJ/mol
Heat capacity
Heat capacity
Heat capacity , or thermal capacity, is the measurable physical quantity that characterizes the amount of heat required to change a substance's temperature by a given amount...

, cp
197.66 J/(mol K)
Gas properties
Std enthalpy change
of formation
Standard enthalpy change of formation
The standard enthalpy of formation or standard heat of formation of a compound is the change of enthalpy that accompanies the formation of 1 mole of a substance in its standard state from its constituent elements in their standard states...

, ΔfHogas
–167.2 kJ/mol
Standard molar entropy
Standard molar entropy
In chemistry, the standard molar entropy is the entropy content of one mole of substance, under standard conditions ....

,
Sogas
388.82 J/(mol K)
Heat capacity
Heat capacity
Heat capacity , or thermal capacity, is the measurable physical quantity that characterizes the amount of heat required to change a substance's temperature by a given amount...

, cp
142.6 J/(mol K) at 25°C
van der Waals' constants
Van der Waals equation
The van der Waals equation is an equation of state for a fluid composed of particles that have a non-zero volume and a pairwise attractive inter-particle force It was derived by Johannes Diderik van der Waals in 1873, who received the Nobel prize in 1910 for "his work on the equation of state for...

a = 2471 L2 kPa/mol2
b = 0.1735 liter per mole

Vapor pressure of liquid

P in mm Hg 1 10 40 100 400 760 1520 3800 7600 15200 30400 45600
T in °C –53.9 –25.0 –2.3 15.8 49.6 68.7 93.0 131.7 166.6 209.4  —  —

Table data obtained from CRC Handbook of Chemistry and Physics 44th ed.

Distillation data

EWLINE
Vapor-Liquid Equilibrium
of n-Hexane/Ethanol
Ethanol
Ethanol, also called ethyl alcohol, pure alcohol, grain alcohol, or drinking alcohol, is a volatile, flammable, colorless liquid. It is a psychoactive drug and one of the oldest recreational drugs. Best known as the type of alcohol found in alcoholic beverages, it is also used in thermometers, as a...


P = 760 mm Hg
BP
Temp.
°C
% by mole ethanol
liquid vapor
76.0 99.0 90.5
73.2 98.0 80.7
67.4 94.0 63.5
65.9 92.0 58.0
61.8 84.8 46.8
59.4 75.5 39.5
58.7 66.7 37.0
58.35 54.8 36.0
58.1 41.2 35.0
58.0 33.0 34.0
58.25 27.5 33.0
58.45 23.5 32.5
59.15 10.2 29.0
60.2 4.5 25.5
63.5 1.0 16.0
66.7 0.6 6.5
    EWLINE
Vapor-Liquid Equilibrium
of n-Hexane/Methanol
Methanol
Methanol, also known as methyl alcohol, wood alcohol, wood naphtha or wood spirits, is a chemical with the formula CH3OH . It is the simplest alcohol, and is a light, volatile, colorless, flammable liquid with a distinctive odor very similar to, but slightly sweeter than, ethanol...


P = 760 mm Hg
BP
Temp.
°C
% by mole methanol
liquid vapor
56.9 1.0 30.0
51.3 2.2 41.8
51.2 4.0 43.9
50.5 9.5 47.7
49.9 17.5 49.1
50.0 28.3 49.6
49.9 40.5 49.7
49.0 52.5 50.2
49.9 70.4 50.0
49.9 72.4 50.0
50.2 84.6 51.6
50.1 85.4 51.6
50.2 87.5 51.5
51.4 90.6 55.0
51.2 90.6 55.1
51.7 92.2 56.0
51.6 92.3 56.0
52.8 94.9 61.2
53.8 95.7 63.5
54.7 96.5 66.4
55.8 96.5 69.5
55.6 96.8 69.4
58.2 97.7 76.8
57.9 97.8 75.5
63.0 99.3 93.5
63.5 99.55 95.0
    EWLINE
Vapor-Liquid Equilibrium
of n-Hexane/n-Heptane
Heptane
n-Heptane is the straight-chain alkane with the chemical formula H3C5CH3 or C7H16. When used as a test fuel component in anti-knock test engines, a 100% heptane fuel is the zero point of the octane rating scale...


P = 101.0 kPa
BP
Temp.
°C
% by mole hexane
liquid vapor
98.32 0.00 0.00
96.30 3.83 8.52
94.03 9.64 19.86
92.35 13.63 27.31
90.37 19.04 36.00
88.26 24.59 44.07
85.96 31.46 52.58
83.22 39.53 62.36
82.41 43.21 65.34
80.80 48.53 70.30
79.78 51.23 72.70
78.79 55.71 76.22
77.12 61.87 80.74
75.57 68.24 84.95
74.98 70.12 86.15
73.51 76.79 89.93
81.40 81.60 92.40
70.59 89.91 96.37
68.66 100.00 100.00


Spectral data


UV-Vis
λmax ? nm
Nanometre
A nanometre is a unit of length in the metric system, equal to one billionth of a metre. The name combines the SI prefix nano- with the parent unit name metre .The nanometre is often used to express dimensions on the atomic scale: the diameter...

Extinction coefficient
Molar absorptivity
The molar absorption coefficient, molar extinction coefficient, or molar absorptivity, is a measurement of how strongly a chemical species absorbs light at a given wavelength...

, ε
?
IR
Infrared
Infrared light is electromagnetic radiation with a wavelength longer than that of visible light, measured from the nominal edge of visible red light at 0.74 micrometres , and extending conventionally to 300 µm...

Major absorption bands ? cm−1
NMR
NMR spectroscopy
Nuclear magnetic resonance spectroscopy, most commonly known as NMR spectroscopy, is a research technique that exploits the magnetic properties of certain atomic nuclei to determine physical and chemical properties of atoms or the molecules in which they are contained...

Proton NMR
Proton NMR
Proton NMR is the application of nuclear magnetic resonance in NMR spectroscopy with respect to hydrogen-1 nuclei within the molecules of a substance, in order to determine the structure of its molecules. In samples where natural hydrogen is used, practically all of the hydrogen consists of the...

 
 
Carbon-13 NMR
Carbon-13 NMR
Carbon-13 NMR is the application of nuclear magnetic resonance spectroscopy to carbon. It is analogous to proton NMR and allows the identification of carbon atoms in an organic molecule just as proton NMR identifies hydrogen atoms...

 
 
Other NMR data  
MS
Mass spectrometry
Mass spectrometry is an analytical technique that measures the mass-to-charge ratio of charged particles.It is used for determining masses of particles, for determining the elemental composition of a sample or molecule, and for elucidating the chemical structures of molecules, such as peptides and...

Masses of
main fragments
 
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