Aniline (data page) - AbsoluteAstronomy.com

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, n_D	1.5863 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... , ε_r	6.89 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...	44.0 dyn/cm at 10°C 42.9 dyn/cm at 20°C 24.4 dyn/cm at 180°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...	6.023 mPa·s at 12°C 4.467 mPa·s at 20°C 2.92 mPa·s at 22°C 1.555 mPa·s at 60°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...	267.13 K (–6.02 °C), ? Pa
Critical point	698.8 K (425.7 °C), 4890 kPa
Std enthalpy change of fusion, Δ_fusH^o	10.54 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... , Δ_fusS^o	39.57 J/(mol·K) at –6.3°C
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... , Δ_vapH^o	55.83 kJ/mol at 25°C 42.44 kJ/mol at 184.1°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... , Δ_vapS^o	? 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... , Δ_fH^o_solid	? 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 .... , S^o_solid	? 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... , c_p	? 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... , Δ_fH^o_liquid	31 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 .... , S^o_liquid	191. J/(mol K)
Enthalpy of combustion, Δ_cH^o_liquid	–3393 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... , c_p	193.7 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... , Δ_fH^o_gas	87 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 .... , S^o_gas	? 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... , c_p	148.7 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 = 2685 L² kPa/mol² b = 0.1369 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	34.8	69.4	96.7	119.9	161.9	184.4	212.8	254.8	292.7	342.0	400.0	—

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

Distillation data

Spectral data

UV-Vis

Ionization potential

The ionization energy of a chemical species, i.e. an atom or molecule, is the energy required to remove an electron from the species to a practically infinite distance. Large atoms or molecules have a low ionization energy, while small molecules tend to have higher ionization energies.The property...

7.72(62281) eV(cm^-1)

λ_max

? 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

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

Wave number	transmittance
(liquid film)
3663 cm⁻¹	77%
3429 cm⁻¹	32%
3354 cm⁻¹	20%
3214 cm⁻¹	44%
3088 cm⁻¹	62%
3072 cm⁻¹	55%
3037 cm⁻¹	38%
3010 cm⁻¹	67%
2930 cm⁻¹	81%
2904 cm⁻¹	79%
2640 cm⁻¹	79%
2627 cm⁻¹	81%
1929 cm⁻¹	77%
1839 cm⁻¹	79%
1705 cm⁻¹	77%
1621 cm⁻¹	7%
1601 cm⁻¹	5%
1557 cm⁻¹	70%
1525 cm⁻¹	66%
1496 cm⁻¹	4%
1467 cm⁻¹	34%
1332 cm⁻¹	74%
1312 cm⁻¹	57%
1277 cm⁻¹	25%
1176 cm⁻¹	32%
1154 cm⁻¹	68%
1053 cm⁻¹	77%
1028 cm⁻¹	64%
996 cm⁻¹	60%
881 cm⁻¹	53%
754 cm⁻¹	8%
693 cm⁻¹	10%
620 cm⁻¹	47%
529 cm⁻¹	50%
504 cm⁻¹	18%

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 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 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

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

UV Absorbance Spectroscopy of Aniline

Aniline

Aniline, phenylamine or aminobenzene is an organic compound with the formula C6H5NH2. Consisting of a phenyl group attached to an amino group, aniline is the prototypical aromatic amine. Being a precursor to many industrial chemicals, its main use is in the manufacture of precursors to polyurethane...

is a benzenoid compound. The NH₂ group attached to the benzene ring means that there is a lone pair of electrons that can enter into conjugation with the benzene ring resulting in delocalization in the aniline.

Aniline absorbs in the K (220 - 250 nm) and the B (250 - 290 nm) bands exhibited by benzenoid compounds. The K and B bands arise from π to π* transitions as a result of the a group containing multiple bond being attached to the benzene ring. When dissolved in ethanol, λ_max for aniline is 230 nm, but in dilute aqueous acid λ_max is 203 nm. In the latter case the anilinium cation is formed and the lone pair is no longer available for conjugation with the benzene ring. Consequently, the absorption of the molecule shifts to the lower λ_max value and behaves like benzene.

Regulatory data

Regulatory data
Flash point Flash point The flash point of a volatile material is the lowest temperature at which it can vaporize to form an ignitable mixture in air. Measuring a flash point requires an ignition source...	70°C
RTECS RTECS Registry of Toxic Effects of Chemical Substances is a database of toxicity information compiled from the open scientific literature without reference to the validity or usefulness of the studies reported. Until 2001 it was maintained by US National Institute for Occupational Safety and Health as...	?
Autoignition temperature Autoignition temperature The autoignition temperature or kindling point of a substance is the lowest temperature at which it will spontaneously ignite in a normal atmosphere without an external source of ignition, such as a flame or spark. This temperature is required to supply the activation energy needed for combustion...	615°C

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