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Acetonitrile (data page)

From Wikipedia, the free encyclopedia

This page provides supplementary chemical data on acetonitrile.

Contents
1 Material Safety Data Sheet
2 Structure and properties
3 Thermodynamic properties
4 Vapor pressure of liquid
5 Distillation data
6 Spectral data
7 References

Material Safet 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.

Science Stuff (http://www.sciencestuff.com/msds/C1147.html)

SIRI (http://www2.siri.org/msds/index.php)
Fisher Scientific (https://fscimage.fishersci.com/msds/00170.htm) .

Structure and properties

Structure and properties
Index of refraction, D 1.3460 at 16.5°C
Abbe number ?
Dielectric constant, εr 37.5 ε0 at 20 °C
Dipole Moment, 3.84 D
Bond strength ?
Bond length ?
Bond angle ?
Magnetic susceptibility ?
0.441 mPa·s at 0°C
Viscosity[1]
0.343 mPa·s at 25°C
Surface tension[1] 29.29 dyn/cm

Thermod namic properties

Phase behavior

Triple point 229.32 K (–43.83 °C), ? Pa

Critical point 545 K (272 °C), 4.87 MPa

Std enthalpy change

8.167 kJ/mol (crystal I → liq)
of fusion, fus Ho

Std entropy change

35.61 J/(mol·K) (crystal I → liq)
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of fusion, fus So
Std enthalpy change 33.225 kJ/mol at 25°C
of vaporization, vap Ho 29.75 at 81.6°C (BP)

Std entropy change

111.44 J/(mol·K) at 25°C
of vaporization, vap So

Solid properties

Std enthalpy change

? kJ/mol at 25°C
of formation, fHo solid

Standard molar entropy,

? J/(mol K)
So solid

Heat capacity, cp ? J/(mol K)

Std enthalpy change 0.8979 kJ/mol at –56.2°C

of state transition, trs Ho (crystal II → crystal I)

Std entropy change 4.14 J/(mol·K) at –56.2°

of state transition, trs So (crystal II → crystal I)

Liquid properties

Std enthalpy change

–40.56 kJ/mol
of formation, fHo liquid

Standard molar entropy,

149.62 J/(mol K)
So liquid

Enthalpy of combustion, cHo –1256.33 kJ/mol

Heat capacity, cp 91.7 J/(mol K) at 25°C

Gas properties

Std enthalpy change

–74.04 kJ/mol
of formation, fHo gas

Standard molar entropy,

? J/(mol K)
So gas

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 Chemistr and Ph sics, 44th ed. The "(s)" notation indicates temperature of solid/vapor
equilibrium. Otherwise the data is temperature of liquid/vapor equilibrium.

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log10 of Acetonitrile vapor pressure. U e fo m la

ob ained f om CHERIC[1]

Distillation data

Vapor-liquid Equilibrium Vapor-liquid Equilibrium Vapor-liquid Equilibrium Vapor-liquid Equilibrium

for Acetonitrile/Water[2] for for for
= 760 mmHg Acetonitrile/Methanol[2] Acetonitrile/Benzene [2] Acetonitrile/Toluene [2]
= 760 mmHg = 760 mmHg = 760 mmHg
BP % by mole
Temp. acetonitrile BP % by mole BP % by mole BP % by mole
C Temp. methanol Temp. benzene Temp. toluene
liquid vapor
C liquid vapor C liquid vapor C liquid vapor
86.5 2.9 26.3
79.20 2.5 9.5 80.6 2.0 4.8 81.5 3.3 5.1
81.1 9.3 50.5
77.95 4.0 13.5 80.4 2.7 6.2 81.4 6.9 8.1
80.0 14.2 55.9
76.77 5.5 17.5 79.0 5.6 12.5 81.1 12.18 12.18
78.6 25.4 61.7
75.12 9.7 26.5 78.5 6.5 14.7 81.3 18.2 15.4
77.4 40.2 65.5
73.12 14.0 33.0 78.0 7.7 16.5 81.4 22.1 17.2
76.7 50.7 66.4
72.07 17.0 37.5 76.0 17.6 29.3 81.8 28.4 19.5
76.6 52.7 67.3
70.96 20.0 420 74.9 24.2 35.5 82.7 37.5 23.0
76.0 71.8 72.8
68.85 24.7 45.5 74.4 29.9 39.3 84.4 53.3 28.4
76.6 83.9 78.0
68.39 28.9 50.5 73.8 37.1 43.8 85.6 60.5 31.5
76.8 85.6 76.1
66.00 41.5 59.5 73.7 38.0 44.9 91.1 78.5 41.7
80.4 98.6 94.5
65.35 47.0 62.5 73.4 44.0 48.5 93.4 84.0 47.3

64.75 54.5 65.5 73.2 51.3 51.9 95.6 87.6 52.6

64.34 63.0 71.5 73.0 52.94 52.94 101.2 92.9 66.5

64.03 69.0 74.5 73.2 58.1 54.5 103.6 95.6 73.8

63.80 74.5 78.9 73.4 66.5 60.0 106.7 97.7 83.6

63.77 82.5 82.5 73.8 71.3 62.6 107.5 98.2 85.4

63.76 86.0 86.0 74.0 76.7 65.7

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63.87 90.0 88.0 74.4 79.0 68.0

64.05 93.0 91.5 76.3 92.0 80.1

64.18 95.0 93.0

64.40 97.0 95.5

Spec al da a
UV-Vi
max ? nm
Extinction coefficient, ε ?
IR
(liquid film)
Wa e n mbe an mi ance
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%
Major absorption bands[3]
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

Refe ence
1. ^ "Pure Component Properties" (http://www.cheric.org/research/kdb/hcprop/cmpsrch.php) (Queriable database). Chemical
Engineering Research Information Center. http://www.cheric.org/research/kdb/hcprop/cmpsrch.php. Retrieved 15 May 2007.
2. ^ "Binary Vapor-Liquid Equilibrium Data" (http://www.cheric.org/research/kdb/hcvle/hcvle.php) (Queriable database). Chemical
Engineering Research Information Center. http://www.cheric.org/research/kdb/hcvle/hcvle.php. Retrieved 15 May 2007.
3. ^ "Spectral Database for Organic Compounds" (http://www.aist.go.jp/RIODB/SDBS/cgi-bin/cre_index.cgi) (Queriable database).
Advanced Industrial Science and Technology. http://www.aist.go.jp/RIODB/SDBS/cgi-bin/cre_index.cgi. Retrieved 7 June 2007.

"NIST Standard Reference Database" (http://webbook.nist.gov/chemistry/) . http://webbook.nist.gov/chemistry/. Retrieved

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15 May 2007.

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

Disclaimer applies.

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Categories: Chemical data pages

This page was last modified on 17 May 2011 at 23:22.

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