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....

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Structure and properties

Structure and properties
Index of refraction, nD	1.3460 at 16.5°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	37.5 ε0 at 20 °C
Dipole Moment Dipole moment Dipole moment can be defined as the product of magnitude of charge & distance of separation between the charges.Dipole moment may refer to:*Electric dipole moment, the measure of the electrical polarity of a system of charges... ,	3.84 D
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...	?
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...	0.441 mPa·s at 0°C 0.343 mPa·s at 25°C
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...	29.29 dyn/cm

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...	229.32 K (–43.83 °C), ? Pa
Critical point	545 K (272 °C), 4.87 MPa
Std enthalpy change of fusion, ΔfusHo	8.167 kJ/mol (crystal I → liq)
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	35.61 J/(mol·K) (crystal I → liq)
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	33.225 kJ/mol at 25°C 29.75 at 81.6°C (BP)
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	111.44 J/(mol·K) at 25°C
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 at 25°C
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)
Std enthalpy change of state transition, ΔtrsHo	0.8979 kJ/mol at –56.2°C (crystal II → crystal I)
Std entropy change of state transition, ΔtrsSo	4.14 J/(mol·K) at –56.2° (crystal II → crystal I)
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	–40.56 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	149.62 J/(mol K)
Enthalpy of combustion, ΔcHo	–1256.33 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	91.7 J/(mol K) at 25°C
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	–74.04 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	? 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)

Vapor pressure of liquid

P in mm Hg	1	10	40	100	400	760
T in °C	–47.0(s)	–16.3	7.7	27.0	62.5	81.8

Table data obtained from CRC Handbook of Chemistry and Physics, 44th ed. The "(s)" notation indicates temperature of solid/vapor equilibrium. Otherwise the data is temperature of liquid/vapor equilibrium.

Distillation data

EWLINE Vapor-liquid Equilibrium for Acetonitrile/Water P = 760 mmHg BP Temp. °C % by mole acetonitrile liquid vapor 86.5 2.9 26.3 81.1 9.3 50.5 80.0 14.2 55.9 78.6 25.4 61.7 77.4 40.2 65.5 76.7 50.7 66.4 76.6 52.7 67.3 76.0 71.8 72.8 76.6 83.9 78.0 76.8 85.6 76.1 80.4 98.6 94.5

EWLINE Vapor-liquid Equilibrium for Acetonitrile/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 mmHg BP Temp. °C % by mole methanol liquid vapor 79.20 2.5 9.5 77.95 4.0 13.5 76.77 5.5 17.5 75.12 9.7 26.5 73.12 14.0 33.0 72.07 17.0 37.5 70.96 20.0 420 68.85 24.7 45.5 68.39 28.9 50.5 66.00 41.5 59.5 65.35 47.0 62.5 64.75 54.5 65.5 64.34 63.0 71.5 64.03 69.0 74.5 63.80 74.5 78.9 63.77 82.5 82.5 63.76 86.0 86.0 63.87 90.0 88.0 64.05 93.0 91.5 64.18 95.0 93.0 64.40 97.0 95.5

EWLINE Vapor-liquid Equilibrium for Acetonitrile/Benzene Benzene Benzene is an organic chemical compound. It is composed of 6 carbon atoms in a ring, with 1 hydrogen atom attached to each carbon atom, with the molecular formula C6H6.... P = 760 mmHg BP Temp. °C % by mole benzene liquid vapor 80.6 2.0 4.8 80.4 2.7 6.2 79.0 5.6 12.5 78.5 6.5 14.7 78.0 7.7 16.5 76.0 17.6 29.3 74.9 24.2 35.5 74.4 29.9 39.3 73.8 37.1 43.8 73.7 38.0 44.9 73.4 44.0 48.5 73.2 51.3 51.9 73.0 52.94 52.94 73.2 58.1 54.5 73.4 66.5 60.0 73.8 71.3 62.6 74.0 76.7 65.7 74.4 79.0 68.0 76.3 92.0 80.1

EWLINE Vapor-liquid Equilibrium for Acetonitrile/Toluene Toluene Toluene, formerly known as toluol, is a clear, water-insoluble liquid with the typical smell of paint thinners. It is a mono-substituted benzene derivative, i.e., one in which a single hydrogen atom from the benzene molecule has been replaced by a univalent group, in this case CH3.It is an aromatic... P = 760 mmHg BP Temp. °C % by mole toluene liquid vapor 81.5 3.3 5.1 81.4 6.9 8.1 81.1 12.18 12.18 81.3 18.2 15.4 81.4 22.1 17.2 81.8 28.4 19.5 82.7 37.5 23.0 84.4 53.3 28.4 85.6 60.5 31.5 91.1 78.5 41.7 93.4 84.0 47.3 95.6 87.6 52.6 101.2 92.9 66.5 103.6 95.6 73.8 106.7 97.7 83.6 107.5 98.2 85.4

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	(liquid film) Wave number transmittance 3675 cm−1 79% 3544 cm−1 81% 3202 cm−1 77% 3164 cm−1 60% 3003 cm−1 52% 2944 cm−1 52% 2629 cm−1 81% 2410 cm−1 81% 2293 cm−1 44% 2254 cm−1 4% 1445 cm−1 30% 1378 cm−1 25% 1181 cm−1 84% 1040 cm−1 43% 918 cm−1 47% 750 cm−1 70%
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