2-Bromo-1-propene
CC(=C)Br CopyCopied
InChI=1S/C3H5Br/c1-3(2)4/h1H2,2H3 CopyCopied
PHMRPWPDDRGGGF-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
1-Propene, 2-bromo-
2-Bromo-1-propene [ACD/IUPAC Name]
2-Bromoprop-1-ene
α-Methylvinyl bromide
209-185-4 [EINECS]
213972-86-2 [RN]
2-BROMO PROPENE
2-Bromopropene
2-Bromopropylene
4-01-00-00754 (Beilstein Handbook Reference) [Beilstein]
557-93-7 [RN]
Isopropenyl bromide
Isopropylene bromide
propene, 2-bromo-
PROPYLENE, 2-BROMO-
18140_FLUKA [DBID]
B78254_ALDRICH [DBID]
BRN 1731926 [DBID]
NSC 87535 [DBID]
NSC87535 [DBID]
Data supplied by datasources and users.
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.07 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 68.88 (Adapted Stein & Brown method) Melting Pt (deg C): -89.48 (Mean or Weighted MP) VP(mm Hg,25 deg C): 325 (Mean VP of Antoine & Grain methods) MP (exp database): -126 deg C BP (exp database): 48.4 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1694 log Kow used: 2.07 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5591.2 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Halides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.93E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.054E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.07 (KowWin est) Log Kaw used: -0.103 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.173 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6438 Biowin2 (Non-Linear Model) : 0.0410 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9608 (weeks ) Biowin4 (Primary Survey Model) : 3.7086 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4618 Biowin6 (MITI Non-Linear Model): 0.1905 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.9685 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 4.31E+004 Pa (323 mm Hg) Log Koa (Koawin est ): 2.173 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.97E-011 Octanol/air (Koa) model: 3.66E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.52E-009 Mackay model : 5.57E-009 Octanol/air (Koa) model: 2.92E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 13.5000 E-12 cm3/molecule-sec Half-Life = 0.792 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 9.508 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.159250 E-17 cm3/molecule-sec Half-Life = 7.196 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 4.04E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 35.04 Log Koc: 1.545 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 = 0.895 (BCF = 7.855) log Kow used: 2.07 (estimated) Volatilization from Water: Henry LC: 0.0193 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.156 hours Half-Life from Model Lake : 104.8 hours (4.368 days) Removal In Wastewater Treatment: Total removal: 88.29 percent Total biodegradation: 0.03 percent Total sludge adsorption: 0.72 percent Total to Air: 87.54 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 18.9 17.1 1000 Water 72.9 360 1000 Soil 7.86 720 1000 Sediment 0.278 3.24e+003 0 Persistence Time: 85 hr
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