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Acetonitrile (data page)

This page provides supplementary chemical data on acetonitrile.

Material Safety Data Sheet edit

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.

  • Fisher Scientific.

Structure and properties edit

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 edit

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 edit

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.

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

Distillation data edit

Vapor-liquid Equilibrium for Acetonitrile/Water[4]
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[4]
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[4]
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[4]
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 edit

UV-Vis
λmax ? nm
Extinction coefficient, ε ?
IR
Major absorption bands[5]
(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 edit

  1. ^ a b "Sigma Aldrich Solvent Center". Retrieved 22 May 2014.
  2. ^ a b c "Pure Component Properties" (Queriable database). Chemical Engineering Research Information Center. 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. ^ a b c d "Binary Vapor-Liquid Equilibrium Data" (Queriable database). Chemical Engineering Research Information Center. Retrieved 15 May 2007.
  5. ^ . Advanced Industrial Science and Technology. Archived from the original (Queriable database) on 5 May 2006. Retrieved 7 June 2007.
  • Linstrom, Peter (1997). "NIST Standard Reference Database". National Institute of Standards and Technology. doi:10.18434/T4D303. from the original on 23 May 2007. {{cite journal}}: Cite journal requires |journal= (help)
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acetonitrile, data, page, this, page, provides, supplementary, chemical, data, acetonitrile, contents, material, safety, data, sheet, structure, properties, thermodynamic, properties, vapor, pressure, liquid, distillation, data, spectral, data, referencesmater. 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 ReferencesMaterial Safety Data Sheet editThe 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 SIRI Fisher Scientific Structure and properties editStructure and properties Index of refraction nD 1 344 at 20 0 C 1 Abbe number Dielectric constant er 36 64 e0 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 C0 343 mPa s at 25 C Surface tension 2 29 29 dyn cmThermodynamic properties editPhase behavior Triple point 3 229 32 K 43 83 C 167 Pa Critical point 545 K 272 C 4 87 MPa Std enthalpy changeof fusion DfusHo 8 167 kJ mol crystal I liq Std entropy changeof fusion DfusSo 35 61 J mol K crystal I liq Std enthalpy changeof vaporization DvapHo 33 225 kJ mol at 25 C29 75 at 81 6 C BP Std entropy changeof vaporization DvapSo 111 44 J mol K at 25 C Solid properties Std enthalpy changeof formation DfHosolid 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 changeof state transition DtrsHo 0 8979 kJ mol at 56 2 C crystal II crystal I Std entropy changeof state transition DtrsSo 4 14 J mol K at 56 2 C crystal II crystal I Liquid properties Std enthalpy changeof formation DfHoliquid 40 56 kJ mol Standard molar entropy Soliquid 149 62 J mol K Enthalpy of combustion DcHo 1256 33 kJ mol Heat capacity cp 91 7 J mol K at 25 C Gas properties Std enthalpy changeof formation DfHogas 74 04 kJ mol Standard molar entropy Sogas J mol K Heat capacity cp J mol K Vapor pressure of liquid editP 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 nbsp log10 of Acetonitrile vapor pressure Uses formula log e P m m H g displaystyle scriptstyle log e P mmHg nbsp log e 760 101 325 3 881710 log e T 273 15 4999 618 T 273 15 41 05901 3 515956 10 06 T 273 15 2 displaystyle scriptstyle log e frac 760 101 325 3 881710 log e T 273 15 frac 4999 618 T 273 15 41 05901 3 515956 times 10 06 T 273 15 2 nbsp obtained from CHERIC 2 Distillation data editVapor liquid Equilibrium for Acetonitrile Water 4 P 760 mmHg BPTemp 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 4 P 760 mmHg BPTemp 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 4 P 760 mmHg BPTemp 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 4 P 760 mmHg BPTemp 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 4Spectral data editUV Vis lmax nm Extinction coefficient e IR Major absorption bands 5 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 edit a b Sigma Aldrich Solvent Center Retrieved 22 May 2014 a b c Pure Component Properties Queriable database Chemical Engineering Research Information Center Archived from the original on 3 June 2007 Retrieved 15 May 2007 Vapor Pressures of Acetonitrile Determined by Comparative Ebulliometry Michael B Ewing and Jesus C Sanchez Ochoa Journal of Chemical amp Engineering Data 2004 49 3 486 491 a b c d Binary Vapor Liquid Equilibrium Data Queriable database Chemical Engineering Research Information Center Retrieved 15 May 2007 Spectral Database for Organic Compounds Advanced Industrial Science and Technology Archived from the original Queriable database on 5 May 2006 Retrieved 7 June 2007 Linstrom Peter 1997 NIST Standard Reference Database National Institute of Standards and Technology doi 10 18434 T4D303 Archived from the original on 23 May 2007 a href Template Cite journal html title Template Cite journal cite journal a Cite journal requires journal help This box viewedit Except where noted otherwise data relate to Standard temperature and pressure Reliability of data general note Retrieved from https en wikipedia org w index php title Acetonitrile data page amp oldid 1149460976, wikipedia, wiki, book, books, library,

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