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. SIRI Fisher Scientific.
Structure and properties
Structure and properties Dielectric constant, εr 36.64 ε0 at 20 °C Surface tension 29.29 dyn/cm
Thermodynamic properties
Phase behavior Triple pointVapor Pressures of Acetonitrile Determined by Comparative Ebulliometry, Michael B. Ewing* and Jesus C. Sanchez Ochoa, Journal of Chemical & Engineering Data 2004 49 (3), 486-491 229.32 K (−43.83 °C), 167 Pa Std entropy changeof fusion, ΔfusSo 35.61 J/(mol·K) (crystal I → liq) Std entropy changeof vaporization, ΔvapSo 111.44 J/(mol·K) at 25 °C Solid properties Heat capacity, cp 92.36 J/(mol K)at 298.15 K Std enthalpy changeof state transition, ΔtrsHo 0.8979 kJ/mol at −56.2 °C(crystal II → crystal I) Std entropy changeof state transition, ΔtrsSo 4.14 J/(mol·K) at −56.2 °C(crystal II → crystal I) Liquid properties Std enthalpy changeof 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 changeof formation, ΔfHogas −74.04 kJ/mol
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/WaterP = 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/MethanolP = 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/BenzeneP = 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/TolueneP = 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 85.4
Spectral data
UV-Vis λmax ? nm Extinction coefficient, ε ? IR Major absorption bands (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