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Boiling Point: 46.9±3.0 °C at 760 mmHg
Vapour Pressure: 328.8±0.1 mmHg at 25°C
Enthalpy of Vaporization: 29.1±3.0 kJ/mol
Flash Point: -25.4±13.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0

ACD/LogP: 0.40
ACD/LogD (pH 5.5): -2.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 26 Å2
Surface Tension:
Molar Volume:

Predicted data is generated using the US Environmental Protection Agency’s EPISuite™

Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 0.34 Log Kow (Exper. Database match) = 0.48 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 62.74 (Adapted Stein và Brown method) Melting Pt (deg C): -71.68 (Mean or Weighted MP) VP(mm Hg,25 deg C): 327 (Mean VP of Antoine & Grain methods) MP (exp database): -83 deg C BP (exp database): 47.2 deg C VP (exp database): 3.10E+02 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 5.438e+005 log Kow used: 0.48 (expkow database) no-melting pt equation used Water Sol (Exper. Database match) = 1e+006 mg/L (20 deg C) Exper. Ref: YALKOWSKY,SH và DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.9011e+005 mg/L Wat Sol (Exper. Database match) = 1000000.00 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) : Bond Method : 1.34E-005 atm-m3/mole Group Method: 1.23E-005 atm-m3/mole Exper Database: 1.48E-05 atm-m3/mole Henrys LC : 4.677E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) : Log Kow used: 0.48 (exp database) Log Kaw used: -3.218 (exp database) Log Koa (KOAWIN v1.10 estimate): 3.698 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8732 Biowin2 (Non-Linear Model) : 0.9637 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0930 (weeks ) Biowin4 (Primary Survey Model) : 3.8057 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6688 Biowin6 (MITI Non-Linear Model): 0.8042 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.9858 Ready Biodegradability Prediction: YESHydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption lớn aerosols (25 Dec C): Vapor pressure (liquid/subcooled): 4.13E+004 pa (310 mm Hg) Log Koa (Koawin est ): 3.698 Kp (particle/gas partition coef. (m3/ug)): Mackay mã sản phẩm : 7.26E-011 Octanol/air (Koa) model: 1.22E-009 Fraction sorbed to lớn airborne particulates (phi): Junge-Pankow mã sản phẩm : 2.62E-009 Mackay mã sản phẩm : 5.81E-009 Octanol/air (Koa) model: 9.8E-008 Atmospheric Oxidation (25 deg C) : Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 33.0001 E-12 cm3/molecule-sec Half-Life = 0.324 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.889 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to lớn airborne particulates (phi): 4.21E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant lớn atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 32.9 Log Koc: 1.517 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) : Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.48 (expkow database) Volatilization from Water: Henry LC: 1.48E-005 atm-m3/mole (Henry experimental database) Half-Life from model River: 31.2 hours (1.3 days) Half-Life from model Lake : 404.8 hours (16.87 days) Removal In Wastewater Treatment: Total removal: 2.67 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 percent Total to lớn Air: 0.82 percent (using 10000 hr Bio P,A,S) cấp độ III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.29 7.78 1000 Water 47.2 360 1000 Soil 51.4 720 1000 Sediment 0.0888 3.24e+003 0 Persistence Time: 317 hr

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