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CSID:553466, http://www.thedesigningfairy.com/Chemical-Structure.553466.html (accessed 23:26, Sep 11, 2021) CopyCopied




You are watching: 1,3-dichloro-2-butene

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Density: 1.1±0.1 g/cm3
Boiling Point: 131.9±15.0 °C at 760 mmHg
Vapour Pressure: 11.2±0.2 mmHg at 25°C
Enthalpy the Vaporization: 35.4±3.0 kJ/mol
Flash Point: 33.9±0.0 °C
Index that Refraction: 1.457
Molar Refractivity: 30.2±0.3 cm3
#H link acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0

ACD/LogP: 2.57
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 45.24
ACD/KOC (pH 5.5): 532.89
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 45.24
ACD/KOC (pH 7.4): 532.89
Polar surface ar Area: 0 Å2
Polarizability: 12.0±0.5 10-24cm3
Surface Tension: 26.6±3.0 dyne/cm
Molar Volume: 110.7±3.0 cm3

Predicted data is produced using the US environmental Protection Agency’s EPISuite™

log in Octanol-Water Partition Coef (SRC): log in Kow (KOWWIN v1.67 estimate) = 2.84 boiling Pt, melt Pt, Vapor pressure Estimations (MPBPWIN v1.42): boiling Pt (deg C): 124.81 (Adapted Stein & Brown method) melt Pt (deg C): -69.15 (Mean or weight MP) VP(mm Hg,25 deg C): 9.57 (Mean VP the Antoine & serial methods) BP (exp database): 131 deg C Water Solubility estimate from log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 363.1 log Kow used: 2.84 (estimated) no-melting pt equation supplied Water Sol calculation from Fragments: Wat sol (v1.01 est) = 766.89 mg/L ECOSAR class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Halides Henrys Law consistent (25 deg C) : Bond method : 3.84E-002 atm-m3/mole group Method: Incomplete Henrys LC : 4.335E-003 atm-m3/mole log in Octanol-Air Partition Coefficient (25 deg C) : log Kow used: 2.84 (KowWin est) log Kaw used: 0.196 (HenryWin est) log Koa (KOAWIN v1.10 estimate): 2.644 log in Koa (experimental database): nobody Probability of quick Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4653 Biowin2 (Non-Linear Model) : 0.0779 skilled Survey Biodegradation Results: Biowin3 (Ultimate survey Model): 2.5766 (weeks-months) Biowin4 (Primary survey Model) : 3.4662 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI straight Model) : 0.3985 Biowin6 (MITI Non-Linear Model): 0.1320 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic linear Model): 0.6797 prepared Biodegradability Prediction: NOHydrocarbon Biodegradation (BioHCwin v1.01): framework incompatible with existing estimation method! Sorption come aerosols (25 Dec C): Vapor push (liquid/subcooled): 1.18E+003 Pa (8.85 mm Hg) log Koa (Koawin est ): 2.644 Kp (particle/gas partition coef. (m3/ug)): Mackay design : 2.54E-009 Octanol/air (Koa) model: 1.08E-010 portion sorbed come airborne particulates (phi): Junge-Pankow version : 9.18E-008 Mackay model : 2.03E-007 Octanol/air (Koa) model: 8.65E-009 Atmospheric Oxidation (25 deg C) : Hydroxyl Radicals Reaction: in its entirety OH Rate consistent = 14.3602 E-12 cm3/molecule-sec Half-Life = 0.745 work (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.938 Hrs Ozone Reaction: as whole Ozone Rate consistent = 0.146396 E-17 cm3/molecule-sec Half-Life = 7.828 days (at 7E11 mol/cm3) fraction sorbed come airborne particulates (phi): 1.48E-007 (Junge,Mackay) Note: the sorbed portion may it is in resistant to atmospheric oxidation floor Adsorption Coefficient (PCKOCWIN v1.66): Koc : 124.9 log Koc: 2.096 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) : price constants have the right to NOT be estimated for this structure! Bioaccumulation estimates from log in Kow (BCFWIN v2.17): log BCF indigenous regression-based method = 1.485 (BCF = 30.52) log Kow used: 2.84 (estimated) Volatilization from Water: Henry LC: 0.0384 atm-m3/mole (estimated by bond SAR Method) Half-Life from version River: 1.158 hrs Half-Life from model Lake : 106.4 hours (4.432 days) removal In Wastewater Treatment: complete removal: 93.78 percent complete biodegradation: 0.03 percent full sludge adsorption: 2.00 percent full to Air: 91.75 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: massive Amount Half-Life Emissions (percent) (hr) (kg/hr) wait 14.6 16.3 1000 Water 70.4 900 1000 soil 13.9 1.8e+003 1000 Sediment 1.13 8.1e+003 0 Persistence Time: 112 hr

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