Try beta.chemspider
Dimethylphosphoramidous dichloride
CN(C)P(Cl)Cl
InChI=1S/C2H6Cl2NP/c1-5(2)6(3)4/h1-2H3
XPWWDZRSNFSLRQ-UHFFFAOYSA-N
CSID:120252, http://www.chemspider.com/Chemical-Structure.120252.html (accessed 07:40, Apr 23, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Predicted data is generated using the US Environmental Protection Agency�s EPISuite™
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 1.91 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 112.50 (Adapted Stein & Brown method) Melting Pt (deg C): -51.45 (Mean or Weighted MP) VP(mm Hg,25 deg C): 21.8 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1857 log Kow used: 1.91 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 14333 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.59E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.255E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.91 (KowWin est) Log Kaw used: -3.833 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.743 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6781 Biowin2 (Non-Linear Model) : 0.7183 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8766 (weeks ) Biowin4 (Primary Survey Model) : 3.6372 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2787 Biowin6 (MITI Non-Linear Model): 0.1612 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6769 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): 2.73E+003 Pa (20.5 mm Hg) Log Koa (Koawin est ): 5.743 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.1E-009 Octanol/air (Koa) model: 1.36E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.96E-008 Mackay model : 8.78E-008 Octanol/air (Koa) model: 1.09E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 2.5296 E-12 cm3/molecule-sec Half-Life = 4.228 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 50.740 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 6.37E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 60.3 Log Koc: 1.780 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 = 0.769 (BCF = 5.87) log Kow used: 1.91 (estimated) Volatilization from Water: Henry LC: 3.59E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 198.3 hours (8.261 days) Half-Life from Model Lake : 2264 hours (94.34 days) Removal In Wastewater Treatment: Total removal: 2.37 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.07 percent Total to Air: 0.20 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 4.5 101 1000 Water 31.6 360 1000 Soil 63.8 720 1000 Sediment 0.102 3.24e+003 0 Persistence Time: 436 hr Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 1.91 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 112.50 (Adapted Stein & Brown method) Melting Pt (deg C): -51.45 (Mean or Weighted MP) VP(mm Hg,25 deg C): 21.8 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1857 log Kow used: 1.91 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 14333 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.59E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.255E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.91 (KowWin est) Log Kaw used: -3.833 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.743 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6781 Biowin2 (Non-Linear Model) : 0.7183 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8766 (weeks ) Biowin4 (Primary Survey Model) : 3.6372 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2787 Biowin6 (MITI Non-Linear Model): 0.1612 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6769 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): 2.73E+003 Pa (20.5 mm Hg) Log Koa (Koawin est ): 5.743 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.1E-009 Octanol/air (Koa) model: 1.36E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.96E-008 Mackay model : 8.78E-008 Octanol/air (Koa) model: 1.09E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 2.5296 E-12 cm3/molecule-sec Half-Life = 4.228 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 50.740 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 6.37E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 60.3 Log Koc: 1.780 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 = 0.769 (BCF = 5.87) log Kow used: 1.91 (estimated) Volatilization from Water: Henry LC: 3.59E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 198.3 hours (8.261 days) Half-Life from Model Lake : 2264 hours (94.34 days) Removal In Wastewater Treatment: Total removal: 2.37 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.07 percent Total to Air: 0.20 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 4.5 101 1000 Water 31.6 360 1000 Soil 63.8 720 1000 Sediment 0.102 3.24e+003 0 Persistence Time: 436 hr
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