| 释义 |
- Vapor pressure of liquid
- Distillation data
- References
{{Use dmy dates|date=June 2013}}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. - [https://web.archive.org/web/20070630043133/http://siri.org/msds/index.php SIRI]
- [https://fscimage.fishersci.com/msds/00170.htm Fisher Scientific].
== 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 [2] | |
| Dipole Moment, | 3.84 D | | Bond strength | ? | | Bond length | ? | | Bond angle | ? | | Magnetic susceptibility | ? | | Viscosity[3] | 0.441 mPa·s at 0°C
0.343 mPa·s at 25°C | | Surface tension[3] | 29.29 dyn/cm | |
== Thermodynamic properties == | Phase behavior | | Triple point[4] | 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°
(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. {{Clear}}Distillation dataVapor-liquid Equilibrium for Acetonitrile/Water[5]
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[5]
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[5]
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[5]
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 | |
|
{{Clear}}== Spectral data == | UV-Vis | | λmax | ? nm | | Extinction coefficient, ε | ? | | IR |
|---|
Major absorption bands[6]| (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 | | |
References1. ^{{Cite web|url=http://www.sigmaaldrich.com/chemistry/solvents/acetonitrile-center.html|title=Sigma Aldrich Solvent Center|accessdate=22 May 2014|}}
2. ^{{Cite web|url=http://www.sigmaaldrich.com/chemistry/solvents/acetonitrile-center.html|title=Sigma Aldrich Solvent Center|accessdate=22 May 2014|}}
3. ^1 2 {{Cite web|url=http://www.cheric.org/research/kdb/hcprop/cmpsrch.php|title=Pure Component Properties|format=Queriable database|publisher=Chemical Engineering Research Information Center|accessdate=15 May 2007| archiveurl= https://web.archive.org/web/20070603180431/http://www.cheric.org/research/kdb/hcprop/cmpsrch.php| archivedate= 3 June 2007 | deadurl= no}}
4. ^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
5. ^1 2 3 {{Cite web|url=http://www.cheric.org/research/kdb/hcvle/hcvle.php|title=Binary Vapor-Liquid Equilibrium Data|publisher=Chemical Engineering Research Information Center|format=Queriable database|accessdate=15 May 2007}}
6. ^{{Cite web|url=http://www.aist.go.jp/RIODB/SDBS/cgi-bin/cre_index.cgi |title=Spectral Database for Organic Compounds |publisher=Advanced Industrial Science and Technology |format=Queriable database |accessdate=7 June 2007 |deadurl=yes |archiveurl=https://web.archive.org/web/20060505120103/http://www.aist.go.jp/RIODB/SDBS/cgi-bin/cre_index.cgi |archivedate=5 May 2006 }}
* {{Cite web|url=http://webbook.nist.gov/chemistry/|title=NIST Standard Reference Database|accessdate=15 May 2007| archiveurl= https://web.archive.org/web/20070523013553/http://webbook.nist.gov/chemistry/| archivedate= 23 May 2007 | deadurl= no}}Except where noted otherwise, data relate to standard ambient temperature and pressure. Disclaimer applies. {{DEFAULTSORT:Acetonitrile (Data Page)}} 1 : Chemical data pages |