ABSTRACT
Common Name: Phenol Synonym: carbolic acid, phenic acid, phenylic acid, phenyl hydrate, phenyl hydroxide, hydroxybenzene, oxybenzene
Chemical Name: phenol CAS Registry No: 108-95-2 Molecular Formula: C6H5OH Molecular Weight: 94.111 Melting Point (°C):
40.89 (Lide 2003) Boiling Point (°C):
181.87 (Lide 2003) Density (g/cm3 at 20°C):
1.5479 (supercooled liq., Ericksen & Dobbert 1955) 1.0576 (Weast 1982)
Acid Dissociation Constant, pKa: 9.90 (Blackman et al. 1955, McLeese et al. 1979) 10.02 (Herington & Kynaston 1957; Callahan et al. 1979) 9.82 (Sillén & Martell 1971; Kaiser et al. 1984; Shigeoka et al. 1988) 10.0 (Serjeant & Dempsey 1979; Paris et al. 1982; Miyake et al. 1987; Tratnyek & Hoigné 1991) 9.92 (Könemann 1981; Könemann & Musch 1981; Ugland et al. 1981; Varhaníčková et al. 1995) 10.05 (Saarikoski 1982; Saarikoski & Viluksela 1982) 9.90 (UV absorption, Hoigné & Bader 1983; Scully & Hoigné 1987) 9.99 (Dean 1985; Schultz & Cajina-Quezada 1987; Hersey et al. 1989) 10.93 (Miyake et al. 1987) 10.12 (UV spectrophotometry, Nendza & Seydel 1988)
Molar Volume (cm3/mol): 89.0 (20°C, calculated-density) 103.4 (calculated-Le Bas method at normal boiling point)
Enthalpy of Vaporization, ∆HV (kJ/mol): 56.13, 45.83 (25°C, bp, Dreisbach 1955) 47.30 (at normal bp, Biddiscombe & Martin 1958) 45.689 (at normal boiling point, Andon et al. 1960)
Enthalpy of Sublimation, ∆Hsubl (kJ/mol): 68.66 (at 25°C, Biddiscombe & Martin 1958; Andon et al. 1960)
Enthalpy of Fusion, ∆Hfus (kJ/mol): 11.514 (Riddick et al. 1986)
Entropy of Fusion, ∆Sfus (J/mol K): 36.63 (Tsonopoulos & Prausnitz 1971) 36.0, 56.5 (observed, estimated, Yalkowsky & Valvani 1980)
Fugacity Ratio at 25°C (assuming ∆Sfus = 56 J/mol K), F: 0.698 (mp at 40.89°C)
Water Solubility (g/m3 or mg/L 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): 86600* (synthetic method, measured range 20-65.86°C, Hill & Malisoff 1926) 83000 (20°C, synthetic method, Jones 1929) 89300* (22.7°C, thermostatic and synthetic methods, measured range 22.7-60.9°C, Morrison 1944)
OH
79000* (20°C, synthetic method/shake flask-optical, measured range 0-68.3°C, Ericksen & Dobbert 1955) 80000 (20°C, Mulley & Metcalf 1966) 78000 (shake flask-spectrophotometry, Roberts et al. 1977) 79750 (shake flask-GC, Kraij & Sincic 1980) 76514 (generator column-HPLC, Wasik et al. 1981) 150580 (20°C, shake flask-UV, Hashimoto et al. 1984) 87000 (solid-phase microextraction SPME-GC, Buchholz & Pawliszyn 1994) 84045* (shake flask-conductimetry, measured range 15.1-35°C, Achard et al. 1996) 94100* (25.35°C, shake flask-optical method, measured range 298.5-336.7 K, Jaoui et al. 1999) 83119* (23.15°C, shake flask-optical method, measured range 292.5-333.6 K, Jaoui et al. 2002) ln [S/(mol kg-1)] = 7.3013 – 853.62/(T/K); temp range 288-313 K (eq.-I derived using reported exptl. data, Jaoui
et al. 2002) ln [S/(mol kg-1)] = 10.731 – 1931.7/(T/K); temp range 313-332 K (eq.-II derived using reported exptl. data,
Jaoui et al. 2002)
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): 133.3* (44.8 °C, static method-manometer, measured range 44.8-181.4 °C, Kahlbaum 1898) 28531* (141.1 °C, mercury manometer, measured range 141.1-181.1 °C, Goldblum et al. 1947) log (P/mmHg) = –2510/(T/K) + 8.395; temp range: 141.1-181.1°C (Hg manometer, Goldblum et al. 1947) 55.54* (extrapolated-regression of tabulated data, temp range 40.1-181.9°C, Stull 1947) 7605* (107.15 °C, ebulliometry, measured range 107.15-181.75 °C, Dreisbach & Shrader 1949) 1333* (70.50 °C, ebulliometry, measured range 70.50-181.7 °C, Vonterres et al. 1955) 70.75 (calculated-Antoine eq., Dreisbach 1955) log (P/mmHg) = 7.57893 – 1817.0/(205.0 + t/°C), temp range: 93-240°C, (Antoine eq. for liquid state, Dreisbach
1955) 44.26* (24.85°C, gas saturation and diaphragm manometer measurements, measured range 0-37.5°C,
Biddiscombe & Martin 1958) 45.71 (gas saturation and diaphragm manometer fitted to Antoine eq., Biddiscombe & Martin 1958) log (P/mmHg) = 11.5638 – 3586.36/(t/°C + 273); temp range 9-40°C (Antoine eq. from gas-saturation and
diaphragm manometer methods, Biddiscombe & Martin. 1958; Andon et al. 1960) log (PL/mmHg) = 7.13457 – 1615.072/(t/°C + 174.569); temp range 110-200°C (Antoine eq. from gas-saturation
and diaphragm manometer methods, Biddiscombe & Martin. 1958; Andon et al. 1960) 45.07 (interpolated-Antoine eq., Andon et al. 1960) 70.70 (20°C, supercooled liq., Andon et al. 1960) 83.95 (extrapolated supercooled liquid value, Antoine eq., Weast 1972-73) log (P/mmHg) = [–0.2185 × 11891.5/(T/K)] + 8.513843; temp range 40.1-418.7°C (Antoine eq., Weast 1972-73) 47.01 (extrapolated-Antoine eq., Boublik et al. 1973) log (P/mmHg) = 7.13301 – 1516.79/(174.954 + t/°C); temp range 107-182°C (Antoine eq. from reported exptl.
