gly ala

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

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Density: 1.3±0.1 g/cm3
Boiling Point: 417.4±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 73.6±6.0 kJ/mol
Flash Point: 206.2±24.6 °C
Index of Refraction: 1.498
Molar Refractivity: 33.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.50
ACD/LogD (pH 5.5): -3.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 13.4±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 115.7±3.0 cm3

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

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Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = -1.68 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 384.74 (Adapted Stein & Brown method) Melting Pt (deg C): 271.90 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.74E-008 (Modified Grain method) Subcooled liquid VP: 1.95E-005 milimet Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.043e+005 log Kow used: -1.68 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.93E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.896E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -1.68 (KowWin est) Log Kaw used: -12.392 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.712 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1146 Biowin2 (Non-Linear Model) : 0.9954 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.2110 (weeks ) Biowin4 (Primary Survey Model) : 4.2712 (hours-days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6176 Biowin6 (MITI Non-Linear Model): 0.5967 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4128 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption đồ sộ aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.0026 Pa (1.95E-005 milimet Hg) Log Koa (Koawin est ): 10.712 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00115 Octanol/air (Koa) model: 0.0126 Fraction sorbed đồ sộ airborne particulates (phi): Junge-Pankow model : 0.04 Mackay model : 0.0845 Octanol/air (Koa) model: 0.503 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 39.6674 E-12 cm3/molecule-sec Half-Life = 0.270 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.236 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed đồ sộ airborne particulates (phi): 0.0623 (Junge,Mackay) Note: the sorbed fraction may be resistant đồ sộ atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10 Log Koc: 1.000 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: 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: -1.68 (estimated) Volatilization from Water: Henry LC: 9.93E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.128E+010 hours (2.97E+009 days) Half-Life from Model Lake : 7.776E+011 hours (3.24E+010 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 percent Total đồ sộ Air: 0.00 percent (using 10000 hr Bio Phường,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.54e-007 6.47 1000 Water 39 360 1000 Soil 60.9 720 1000 Sediment 0.0713 3.24e+003 0 Persistence Time: 579 hr