Format: Insert the DOI number only, not the DOI prefix. Enter 10.1021/ol702040y not DOI: 10.1021/ol702040y Use lookup button to fetch DOI record.
Click OK to accept, Cancel to reject fetch result.
OK Cancel
Enter PubMed Id in the text box below. Use lookup button to fetch PubMed record. Click OK to accept, Cancel to reject fetch result.
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
1,3-Difluorobenzene
benzene, 1,3-difluoro-
1,3-Difluorbenzol
1,3-Difluoro benzene
1,3-Difluorobenzene 99%
1904537 [Beilstein]
206-746-5 [EINECS/ELINCS]
372-16-7 [RN]
372-18-9 [RN]
4-Aminophenyltrifluoromethylsulphide
CZ5652000
m-difluorobenzene
m-Difluorobenzene3-Difluorobenzene
meta-difluorobenzene
TL8002738
D102008_ALDRICH
MFCD00000327
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.39 Log Kow (Exper. database match) = 2.21 Exper. Ref: Dunn,WJ et al. (1983) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 91.11 (Adapted Stein & Brown method) Melting Pt (deg C): -68.06 (Mean or Weighted MP) VP(mm Hg,25 deg C): 78.2 (Mean VP of Antoine & Grain methods) MP (exp database): -69 deg C BP (exp database): 82.6 deg C VP (exp database): 8.28E+01 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1366 log Kow used: 2.21 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 1140 mg/L (25 deg C) Exper. Ref: EPA Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1475.2 mg/L Wat Sol (Exper. database match) = 1140.00 Exper. Ref: EPA ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.34E-003 atm-m3/mole Group Method: 4.25E-002 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 8.595E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.21 (exp database) Log Kaw used: -0.523 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.733 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.9268 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1332 (months ) Biowin4 (Primary Survey Model) : 3.7100 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4403 Biowin6 (MITI Non-Linear Model): 0.0003 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4544 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): 1.1E+004 Pa (82.8 mm Hg) Log Koa (Koawin est ): 2.733 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.72E-010 Octanol/air (Koa) model: 1.33E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 9.82E-009 Mackay model : 2.17E-008 Octanol/air (Koa) model: 1.06E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 3.0594 E-12 cm3/molecule-sec Half-Life = 3.496 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 41.953 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.58E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 434 Log Koc: 2.638 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 = 1.002 (BCF = 10.04) log Kow used: 2.21 (expkow database) Volatilization from Water: Henry LC: 0.0425 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.105 hours Half-Life from Model Lake : 101.6 hours (4.234 days) Removal In Wastewater Treatment: Total removal: 94.30 percent Total biodegradation: 0.02 percent Total sludge adsorption: 0.73 percent Total to Air: 93.54 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 35 83.9 1000 Water 61.5 1.44e+003 1000 Soil 3.15 2.88e+003 1000 Sediment 0.323 1.3e+004 0 Persistence Time: 137 hr
User Data
The melting point of a crystalline solid is the temperature range at which it changes state from solid to liquid. See also: Melting Point
The boiling point of a liquid is the temperature at which the vapor pressure of the liquid equals the environmental pressure surrounding the liquid. See also: Boiling Point
The flash point of a flammable liquid is the lowest temperature at which it can form an ignitable mixture in air. See also: Flash Point
Specific gravity is defined as the ratio of the density of a given substance to the density of water, when both are at the same temperature. See also: Specific Gravity
The refractive index (or index of refraction) of a medium is a measure for how much the speed of light (or other waves such as sound waves) is reduced inside the medium. See also: Refraction Index
See Chemical Safety