ABSTRACT
Common Name: Acetonitrile Synonym: cyanomethane, ethanenitrile, methyl cyanide Chemical Name: acetonitrile CAS Registry No: 75-05-8 Molecular Formula: C2H3N, CH3CN Molecular Weight: 41.052 Melting Point (°C):
–43.82 (Lide 2003) Boiling Point (°C):
81.65 (Lide 2003) Density (g/cm3 at 20°C):
0.7857 (Dreisbach 1961; Weast 1982-83; Dean 1985) 0.7803 (25°C, Dreisbach 1961)
Molar Volume (cm3/mol): 52.7 (calculated-density, Rohrschneider 1973) 57.4 (exptl. at normal bp, Lee et al. 1972) 56.3 (calculated-Le Bas method at normal boiling point)
Dissociation Constant, pK: 29.1 (pKa, Riddick et al. 1986; Howard 1993) 32.2 (pKs, Riddick et al. 1986) –10.12 (pKBH + , Riddick et al. 1986)
Enthalpy of Vaporization, ∆HV (kJ/mol): 35.01, 31.51 (25°C, bp, Dreisbach 1961) 32.94, 29.82 (25°C, bp, Riddick et al. 1986)
Enthalpy of Fusion, ∆Hfus (kJ/mol): 8.167 (Riddick et al. 1986)
Entropy of Fusion, ∆Sfus (J/mol K): Fugacity Ratio at 25°C (assuming ∆Sfus = 56 J/mol K), F: 1.0
Water Solubility (g/m3 or mg/L at 25°C): > 3.1 × 106 (Booth & Everson 1948) miscible (Dean 1985; Riddick et al. 1986; Yaws et al. 1990; Howard 1993)
Vapor Pressure (Pa at 25°C or as indicated and reported temperature dependence equations. Additional data at other temperatures designated * are compiled at the end of this section): 11870* (interpolated-regression of tabulated data, temp range –47-81.8°C, Stull 1947) log (P/mmHg) = 7.12257 – 1315.2/(230 + t/°C), (Antoine eq., Dreisbach & Martin 1949) 11240 (calculated by formula, Dreisbach 1961) log (P/mmHg) = 7.07354 – 1279.2/(224.0 + t/°C), temp range 5-119°C, (Antoine eq. for liquid state, Dreisbach
1961) 12156* (25.56°C, measured range 7.3-27.38°C, Putnam et al. 1965) log (P/mmHg) = 7.89511 – 1773.06/(T/K); temp range 280-300.5 K (Antoine eq., Putnam et al. 1965) 11510 (Hoy 1970) 24459* (41.82°C, ebulliometry, measured range 41-82°C, Meyer et al. 1971) log (P/mmHg) = 6.23655 – 1397.9228/(239.275 + t/°C); temp range 41-82°C (ebulliometry, Meyer et al. 1971) log (P/mmHg) = [–0.2185 × 8173.2/(T/K)] + 7.938662; temp range: –47.0 to 81.8°C, (Antoine eq., Weast
1972-73) 11919* (25.3°C, measured range 15.1-89.2°C, Dojcanske & Heinrich 1974)
N
log (P/kPa) = 6.4914 – 1420.8649/(T/K – 42.15); temp range 438.9-530.1 K (ebulliometry, Mousa 1981) 9864, 15330 (20°C, 30°C, Verschueren 1983) 11790, 11830 (interpolated values-Antoine equations, Boublik et al. 1984) log (P/kPa) = 6.39532 – 1420.682/(241.852 + t/°C), temp range: 15.1-89.2°C (Antoine eq. from reported exptl.
