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Acetonitrile (data page)




This page provides supplementary chemical data on acetonitrile.

Contents

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) for this chemical from a reliable source such as SIRI, and follow its directions. MSDS is available at Fisher Scientific.

Structure and properties

Structure and properties
Index of refraction, nD 1.3460 at 16.5°C
Abbe number ?
Dielectric constant, εr 37.5 ε0 at 20 °C
Bond strength  ?
Bond length  ?
Bond angle  ?
Magnetic susceptibility  ?
Viscosity[1] 0.441 mP·s at 0°C
0.343 mP·s at 25°C
Surface tension[1] 29.29 dyn/cm

Thermodynamic properties

Phase behavior
Triple point 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, ΔfusSo
35.61 J/(mol·K) (crystal I → liq)
Std enthalpy change
of vaporization
, ΔvapHo
33.225 kJ/mol at 25°C
29.75 at 81.6°C (BP)
Std entropy change
of vaporization, ΔvapSo
111.44 J/(mol·K) at 25°C
Solid properties
Std enthalpy change
of formation
, ΔfHosolid
 ? kJ/mol at 25°C
Standard molar entropy,
Sosolid
 ? J/(mol K)
Heat capacity, 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
, ΔfHoliquid
–40.56 kJ/mol
Standard molar entropy,
Soliquid
149.62 J/(mol K)
Enthalpy of combustion, ΔcHo –1256.33 kJ/mol
Heat capacity, cp 91.7 J/(mol K) at 25°C
Gas properties
Std enthalpy change
of formation
, ΔfHogas
–74.04 kJ/mol
Standard molar entropy,
Sogas
 ? J/(mol K)
Heat capacity, 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

Vapor-liquid Equilibrium for Acetonitrile/Water[2]
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
   
Vapor-liquid Equilibrium for Acetonitrile/Methanol[2]
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
   
Vapor-liquid Equilibrium for Acetonitrile/Benzene[2]
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
   
Vapor-liquid Equilibrium for Acetonitrile/Toluene[2]
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
Extinction coefficient, ε  ?
IR
Major absorption bands[3]
(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
Proton NMR  
Carbon-13 NMR  
Other NMR data  
MS
Masses of
main fragments
 

References

  1. ^ a b c Pure Component Properties (Queriable database). Chemical Engineering Research Information Center. Retrieved on 15 May 2007.
  2. ^ a b c d Binary Vapor-Liquid Equilibrium Data (Queriable database). Chemical Engineering Research Information Center. Retrieved on 15 May 2007.
  3. ^ [http://www.aist.go.jp/RIODB/SDBS/cgi-bin/cre_index.cgi Spectral Database for Organic Compounds] (Queriable database). Advanced Industrial Science and Technology. Retrieved on 7 June 2007.
  • NIST Standard Reference Database]. Retrieved on 15 May 2007.

Except where noted otherwise, data relate to standard ambient temperature and pressure.

Disclaimer applies.

 
This article is licensed under the GNU Free Documentation License. It uses material from the Wikipedia article "Acetonitrile_(data_page)". A list of authors is available in Wikipedia.
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