This page provides supplementary chemical data on acetonitrile.

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 and follow its directions.

Structure and properties

Structure and properties
Index of refraction, nD 1.344 at 20.0 °C [1]
Abbe number ?
Dielectric constant, εr 36.64 ε0 at 20 °C [1]
Dipole Moment, 3.84 D
Bond strength  ?
Bond length  ?
Bond angle  ?
Magnetic susceptibility  ?
Viscosity[2] 0.441 mPa·s at 0 °C
0.343 mPa·s at 25 °C
Surface tension[2] 29.29 dyn/cm

Thermodynamic properties

Phase behavior
Triple point[3] 229.32 K (−43.83 °C), 167 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 92.36 J/(mol K)at 298.15 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 °C
(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 Hg11040100400760
T in °C−47.0(s)−16.37.727.062.581.8

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.

log10 of Acetonitrile vapor pressure. Uses formula obtained from CHERIC[2]

Distillation data

Vapor-liquid Equilibrium for Acetonitrile/Water[4]
P = 760 mmHg
BP
Temp.
°C
 % by mole acetonitrile
liquidvapor
86.52.926.3
81.19.350.5
80.014.255.9
78.625.461.7
77.440.265.5
76.750.766.4
76.652.767.3
76.071.872.8
76.683.978.0
76.885.676.1
80.498.694.5
   
Vapor-liquid Equilibrium for Acetonitrile/Methanol[4]
P = 760 mmHg
BP
Temp.
°C
 % by mole methanol
liquidvapor
79.202.59.5
77.954.013.5
76.775.517.5
75.129.726.5
73.1214.033.0
72.0717.037.5
70.9620.0420
68.8524.745.5
68.3928.950.5
66.0041.559.5
65.3547.062.5
64.7554.565.5
64.3463.071.5
64.0369.074.5
63.8074.578.9
63.7782.582.5
63.7686.086.0
63.8790.088.0
64.0593.091.5
64.1895.093.0
64.4097.095.5
   
Vapor-liquid Equilibrium for Acetonitrile/Benzene[4]
P = 760 mmHg
BP
Temp.
°C
 % by mole benzene
liquidvapor
80.62.04.8
80.42.76.2
79.05.612.5
78.56.514.7
78.07.716.5
76.017.629.3
74.924.235.5
74.429.939.3
73.837.143.8
73.738.044.9
73.444.048.5
73.251.351.9
73.052.9452.94
73.258.154.5
73.466.560.0
73.871.362.6
74.076.765.7
74.479.068.0
76.392.080.1
   
Vapor-liquid Equilibrium for Acetonitrile/Toluene[4]
P = 760 mmHg
BP
Temp.
°C
 % by mole toluene
liquidvapor
81.53.35.1
81.46.98.1
81.112.1812.18
81.318.215.4
81.422.117.2
81.828.419.5
82.737.523.0
84.453.328.4
85.660.531.5
91.178.541.7
93.484.047.3
95.687.652.6
101.292.966.5
103.695.673.8
106.797.783.6
107.598.285.4

Spectral data

UV-Vis
λmax  ? nm
Extinction coefficient, ε  ?
IR
Major absorption bands[5]
(liquid film)
Wave numbertransmittance
3675 cm179%
3544 cm181%
3202 cm177%
3164 cm160%
3003 cm152%
2944 cm152%
2629 cm181%
2410 cm181%
2293 cm144%
2254 cm14%
1445 cm130%
1378 cm125%
1181 cm184%
1040 cm143%
918 cm147%
750 cm170%
NMR
Proton NMR  
Carbon-13 NMR  
Other NMR data  
MS
Masses of
main fragments
 

References

  1. 1 2 "Sigma Aldrich Solvent Center". Retrieved 22 May 2014.
  2. 1 2 3 "Pure Component Properties" (Queriable database). Chemical Engineering Research Information Center. Archived from the original on 3 June 2007. Retrieved 15 May 2007.
  3. Vapor Pressures of Acetonitrile Determined by Comparative Ebulliometry, Michael B. Ewing* and Jesus C. Sanchez Ochoa, Journal of Chemical & Engineering Data 2004 49 (3), 486-491
  4. 1 2 3 4 "Binary Vapor-Liquid Equilibrium Data" (Queriable database). Chemical Engineering Research Information Center. Retrieved 15 May 2007.
  5. "Spectral Database for Organic Compounds". Advanced Industrial Science and Technology. Archived from the original (Queriable database) on 5 May 2006. Retrieved 7 June 2007.
  This box:   
This article is issued from Wikipedia. The text is licensed under Creative Commons - Attribution - Sharealike. Additional terms may apply for the media files.