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Density: 0.7±0.1 g/cm3
Boiling Point: 62.0±7.0 °C at 760 mmHg
Vapour Pressure: 193.8±0.0 mmHg at 25°C
Enthalpy of Vaporization: 29.2±0.8 kJ/mol
Flash Point: -26.1±0.0 °C
Index of Refraction: 1.396
Molar Refractivity: 29.4±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0

ACD/LogP: 3.45
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 129.01
ACD/KOC (pH 5.5): 1128.19
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 129.01
ACD/KOC (pH 7.4): 1128.19
Polar Surchallenge Area: 0 Å2
Polarizability: 11.7±0.5 10-24cm3
Surchallenge Tension: 19.1±3.0 dyne/cm
Molar Volume: 122.5±3.0 cm3

Predicted data is created making use of the US Environmental Protection Agency’s EPISuite™

Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 3.21 Boiling Pt, Melting Pt, Vapor Prescertain Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 62.76 (Adapted Stein & Brown method) Melting Pt (deg C): -104.26 (Typical or Weighted MP) VP(mm Hg,25 deg C): 175 (Median VP of Antoine & Grain methods) MP (exp database): -131.5 deg C BP (exp database): 64.7 deg C VP (exp database): 1.75E+02 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 67.91 log Kow used: 3.21 (estimated) no-melting pt equation provided Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 57.788 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) : Bond Method : 4.23E-001 atm-m3/mole Group Method: 6.74E-001 atm-m3/mole Henrys LC : 2.854E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) : Log Kow used: 3.21 (KowVictory est) Log Kaw used: 1.238 (HenrySuccess est) Log Koa (KOAWIN v1.10 estimate): 1.972 Log Koa (experimental database): None Probcapacity of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Liclose to Model) : 0.7075 Biowin2 (Non-Linear Model) : 0.8598 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0132 (weeks ) Biowin4 (Primary Survey Model) : 3.7263 (days-weeks ) MITI Biodestruction Probability: Biowin5 (MITI Liclose to Model) : 0.5738 Biowin6 (MITI Non-Linear Model): 0.7409 Anaerobic Biodestruction Probability: Biowin7 (Anaerobic Liclose to Model): 0.5819 Ready Biodegradability Prediction: YES Hydrocarbon Biodestruction (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.4155 BioHC Half-Life (days) : 2.6033 Sorption to aerosols (25 Dec C): Vapor push (liquid/subcooled): 2.33E+004 Pa (175 mm Hg) Log Koa (Koawin est ): 1.972 Kp (particle/gas partition coef. (m3/ug)): Mackay version : 1.29E-010 Octanol/air (Koa) model: 2.3E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow design : 4.64E-009 Mackay model : 1.03E-008 Octanol/air (Koa) model: 1.84E-009 Atmospheric Oxidation (25 deg C) : Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 53.6026 E-12 cm3/molecule-sec Half-Life = 0.200 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.395 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec Half-Life = 0.955 Days (at 7E11 mol/cm3) Half-Life = 22.920 Hrs Fractivity sorbed to airborne particulates (phi): 7.46E-009 (Junge,Mackay) Note: the sorbed fractivity might be resistant to atmospheric oxidation Soil Adsorption Coeffective (PCKOCWIN v1.66): Koc : 130.8 Log Koc: 2.117 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) : Rate constants deserve to NOT be estimated for this structure! Bioaccumulation Quotes from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.770 (BCF = 58.89) log Kow used: 3.21 (estimated) Volatilization from Water: Henry LC: 0.423 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 0.9374 hours (56.24 min) Half-Life from Model Lake : 87.15 hrs (3.631 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.41 percent Total biodegradation: 0.03 percent Total sludge adsorption: 3.87 percent Total to Air: 95.51 percent (utilizing 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Eobjectives (percent) (hr) (kg/hr) Air 6.2 3.96 1000 Water 86.3 360 1000 Soil 5.3 720 1000 Sediment 2.15 3.24e+003 0 Persistence Time: 71.1 hr

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