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Boiling Point: 30.9±8.0 °C at 760 mmHg
Vapour Pressure: 607.7±0.1 mmHg at 25°C
Enthalpy of Vaporization: 27.6±3.0 kJ/mol
Flash Point: -35.8±13.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0

ACD/LogP: 0.21
ACD/LogD (pH 5.5): -2.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.54
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) = 0.27 Log Kow (Exper. Database match) = 0.26 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 47.27 (Adapted Stein và Brown method) Melting Pt (deg C): -83.69 (Mean or Weighted MP) VP(mm Hg,25 deg C): 592 (Mean VP of Antoine và Grain methods) MP (exp database): -95.1 deg C BP (exp database): 31.7 deg C VP (exp database): 5.80E+02 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 8.381e+005 log Kow used: 0.26 (expkow database) no-melting pt equation used Water Sol (Exper. Database match) = 1e+006 mg/L (25 deg C) Exper. Ref: DORIGAN,J ET AL. (1976)
2ND Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 6.5379e+005 mg/L Wat Sol (Exper. Database match) = 1000000.00 Exper. Ref: DORIGAN,J ET AL. (1976)
2ND 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: Incomplete Exper Database: 4.51E-05 atm-m3/mole Henrys LC : 5.494E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) : Log Kow used: 0.26 (exp database) Log Kaw used: -2.734 (exp database) Log Koa (KOAWIN v1.10 estimate): 2.994 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) : 0.5197 Biowin6 (MITI Non-Linear Model): 0.6163 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6884 Ready Biodegradability Prediction: YESHydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption khổng lồ aerosols (25 Dec C): Vapor pressure (liquid/subcooled): 7.73E+004 pa (580 milimet Hg) Log Koa (Koawin est ): 2.994 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.88E-011 Octanol/air (Koa) model: 2.42E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.4E-009 Mackay mã sản phẩm : 3.1E-009 Octanol/air (Koa) model: 1.94E-008 Atmospheric Oxidation (25 deg C) : Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 39.3766 E-12 cm3/molecule-sec Half-Life = 0.272 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.260 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to lớn airborne particulates (phi): 2.25E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant lớn atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 26.32 Log Koc: 1.420 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: 0.26 (expkow database) Volatilization from Water: Henry LC: 4.51E-005 atm-m3/mole (Henry experimental database) Half-Life from mã sản phẩm River: 10.77 hours Half-Life from mã sản phẩm Lake : 181.9 hours (7.579 days) Removal In Wastewater Treatment: Total removal: 4.19 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.73 percent Total khổng lồ Air: 2.38 percent (using 10000 hr Bio P,A,S) level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.52 6.52 1000 Water 48.9 360 1000 Soil 49.5 720 1000 Sediment 0.091 3.24e+003 0 Persistence Time: 272 hr

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