ABSTRACT
Common Name: Chlorobenzene Synonym: monochlorobenzene, benzene chloride, phenyl chloride Chemical Name: chlorobenzene CAS Registry No: 108-90-7 Molecular Formula: C6H5Cl Molecular Weight: 112.557 Melting Point (°C):
–45.31 (Lide 2003) Boiling Point (°C):
131.72 (Lide 2003) Density (g/cm3 at 20°C):
1.1058 (Weast 1972-73; Lide 2003) Molar Volume (cm3/mol):
101.8 (20°C, calculated-density) 116.9 (calculated-Le Bas method at normal boiling point)
Enthalpy of Vaporization, ∆HV (kJ/mol): Enthalpy of Fusion, ∆Hfus (kJ/mol):
9.49 (Dean 1985) 11.88 (Riddick et al. 1986)
Entropy of Fusion, ∆Sfus (J/mol K): Fugacity Ratio at 25°C, F: 1.0
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): 488 (30°C, shake flask-interferometer, Gross & Saylor 1931) 551 (Landolt-Börnstein 1951) 488 (Seidell 1941) < 200 (residue-volume method, Booth & Everson 1948) 500 (shake flask-UV, Andrews & Keefer 1950) 490* (30°C, shake flask, Kisarov 1962) 546, 523; 534 (21°C, generator column-GC; mean value, Chey & Calder 1972) 463 (shake flask-UV, Vesala 1974) 100 (Stephen & Stephen 1963) 106.8* (shake flask-GC, measured range 5-45°C, Nelson & Smit 1978) 472 (shake flask-GC, Aquan-Yuen et al. 1979) 472 (shake flask-GC, Mackay et al. 1979, 1980, 1982b) 503 (shake flask-UV, Yalkowsky et al. 1979) 420, 450* (20°C; elution chromatography, UV adsorption, measured range 10-30°C, Schwarz & Miller 1980) 295 (generator column-HPLC/UV, Tewari et al. 1982) 498 (recommended, Horvath 1982) 499 (generator column-HPLC/UV, Wasik et al. 1983) 508 (HPLC-k′ correlation, converted from reported γW, Hafkenscheid & Tomlinson 1983a) 295 (generator column-GC, Miller et al. 1984, 1985) 495* (recommended, temp range 10-70°C, IUPAC Solubility Data Series, Horvath & Getzen 1985)
Cl
(regression of literature data, IUPAC Solubility Data Series, Horvath & Getzen 1985)
490 (30°C, quoted, Dean 1985) 502 (shake flask-HPLC/UV, Banerjee 1984) 348 (shake flask-radiometric method, Lo et al. 1986) 428 (vapor phase saturation-GC, temp range 15-45°C, Sanemasa et al. 1987) 482* (20°C vapor-liquid equilibrium-activity coefficient, measured range 20-50°C, Cooling et al. 1992) 477 (20°C, limiting activity coeff. by equilibrium air stripping-GC, Hovorka & Dohnal 1997) 333 (shake flask-GC, Boyd et al. 1998) 496 (solid-phase micro-extraction SPME-GC, Paschke et al. 1998) ln x = – 41.9062 + 6054.03/(T/K) + 1.3692 × 10-4·(T/K)2; temp range 5-50°C (regression eq. from literature data,
Shiu & Ma 2000) 470* (shake flask-GC, measured range 5-45°C, Ma et al. 2001) 426, 427, 511 (5, 15, 35°C, estimated-RP-HPLC-k′ correlation, Finizio & Di Guardo 2001)
Vapor Pressure (Pa at 25°C and reported temperature dependence equations. Additional data at other temperatures designated * are compiled at the end of this section.): 1333* (22.2°C, summary of literature data, temp range –13.0 to 132.2°C, Stull 1947) log (P/mmHg) = 7.18473 – 1556.6/(230 + t/°C) (Antoine eq., Dreisbach & Martin 1949) log (P/mmHg) = 6.94504 – 1413.12/(216.0 + t/°C); temp range 40-200°C (Antoine eq. for liquid state, Dreisbach
1955) 7605* (56.28°C, ebulliometry, measured range 56.28-131.70°C, Dreisbach & Shrader 1949) 9657* (62.04°C, ebulliometry, measured range 62.04-131.7°C, Brown 1952) 1580 (interpolated-Antoine eq., Weast 1972-73) log (P/mmHg) = [–0.2185 × 10098.0/(T/K)] + 8.5000; temp range –35 to –15°C (Antoine eq., Weast 1972-73) log (P/mmHg) = [–0.2185 × 9067.3/(T/K)] + 7.717535; temp range –13 to 249.8°C (Antoine eq., Weast 1972-73) 1596, 1610 (extrapolated-Antoine eq., Boublik et al. 1973; 1984) log (P/kPa) = 6.10416 – 1431.813/(217.655 + t/°C); temp range 62.04-131.7°C (Antoine eq. from reported exptl.
