Try beta.chemspider
Butyl(chloro)dimethylsilane
CCCC[Si](C)(C)Cl
InChI=1S/C6H15ClSi/c1-4-5-6-8(2,3)7/h4-6H2,1-3H3
MXOSTENCGSDMRE-UHFFFAOYSA-N
CSID:59469, http://www.chemspider.com/Chemical-Structure.59469.html (accessed 13:02, May 4, 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) = 3.95 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 107.57 (Adapted Stein & Brown method) Melting Pt (deg C): -64.42 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.65 (Mean VP of Antoine & Grain methods) BP (exp database): 139 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 31.59 log Kow used: 3.95 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.5147 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.50E-001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.175E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.95 (KowWin est) Log Kaw used: 0.788 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.162 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7842 Biowin2 (Non-Linear Model) : 0.9377 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1644 (weeks ) Biowin4 (Primary Survey Model) : 3.8993 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4132 Biowin6 (MITI Non-Linear Model): 0.3825 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3576 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): 816 Pa (6.12 mm Hg) Log Koa (Koawin est ): 3.162 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.68E-009 Octanol/air (Koa) model: 3.56E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.33E-007 Mackay model : 2.94E-007 Octanol/air (Koa) model: 2.85E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 4.2921 E-12 cm3/molecule-sec Half-Life = 2.492 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 29.905 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.13E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 328.7 Log Koc: 2.517 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 = 2.345 (BCF = 221.4) log Kow used: 3.95 (estimated) Volatilization from Water: Henry LC: 0.15 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.258 hours Half-Life from Model Lake : 116.7 hours (4.861 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 98.51 percent Total biodegradation: 0.06 percent Total sludge adsorption: 16.03 percent Total to Air: 82.42 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 24.5 59.8 1000 Water 41.7 360 1000 Soil 29 720 1000 Sediment 4.77 3.24e+003 0 Persistence Time: 147 hr Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 3.95 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 107.57 (Adapted Stein & Brown method) Melting Pt (deg C): -64.42 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.65 (Mean VP of Antoine & Grain methods) BP (exp database): 139 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 31.59 log Kow used: 3.95 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.5147 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.50E-001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.175E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.95 (KowWin est) Log Kaw used: 0.788 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.162 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7842 Biowin2 (Non-Linear Model) : 0.9377 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1644 (weeks ) Biowin4 (Primary Survey Model) : 3.8993 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4132 Biowin6 (MITI Non-Linear Model): 0.3825 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3576 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): 816 Pa (6.12 mm Hg) Log Koa (Koawin est ): 3.162 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.68E-009 Octanol/air (Koa) model: 3.56E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.33E-007 Mackay model : 2.94E-007 Octanol/air (Koa) model: 2.85E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 4.2921 E-12 cm3/molecule-sec Half-Life = 2.492 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 29.905 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.13E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 328.7 Log Koc: 2.517 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 = 2.345 (BCF = 221.4) log Kow used: 3.95 (estimated) Volatilization from Water: Henry LC: 0.15 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.258 hours Half-Life from Model Lake : 116.7 hours (4.861 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 98.51 percent Total biodegradation: 0.06 percent Total sludge adsorption: 16.03 percent Total to Air: 82.42 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 24.5 59.8 1000 Water 41.7 360 1000 Soil 29 720 1000 Sediment 4.77 3.24e+003 0 Persistence Time: 147 hr Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 3.95 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 107.57 (Adapted Stein & Brown method) Melting Pt (deg C): -64.42 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.65 (Mean VP of Antoine & Grain methods) BP (exp database): 139 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 31.59 log Kow used: 3.95 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.5147 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.50E-001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.175E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.95 (KowWin est) Log Kaw used: 0.788 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.162 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7842 Biowin2 (Non-Linear Model) : 0.9377 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1644 (weeks ) Biowin4 (Primary Survey Model) : 3.8993 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4132 Biowin6 (MITI Non-Linear Model): 0.3825 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3576 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): 816 Pa (6.12 mm Hg) Log Koa (Koawin est ): 3.162 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.68E-009 Octanol/air (Koa) model: 3.56E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.33E-007 Mackay model : 2.94E-007 Octanol/air (Koa) model: 2.85E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 4.2921 E-12 cm3/molecule-sec Half-Life = 2.492 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 29.905 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.13E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 328.7 Log Koc: 2.517 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 = 2.345 (BCF = 221.4) log Kow used: 3.95 (estimated) Volatilization from Water: Henry LC: 0.15 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.258 hours Half-Life from Model Lake : 116.7 hours (4.861 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 98.51 percent Total biodegradation: 0.06 percent Total sludge adsorption: 16.03 percent Total to Air: 82.42 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 24.5 59.8 1000 Water 41.7 360 1000 Soil 29 720 1000 Sediment 4.77 3.24e+003 0 Persistence Time: 147 hr Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 3.95 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 107.57 (Adapted Stein & Brown method) Melting Pt (deg C): -64.42 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.65 (Mean VP of Antoine & Grain methods) BP (exp database): 139 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 31.59 log Kow used: 3.95 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.5147 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.50E-001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.175E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.95 (KowWin est) Log Kaw used: 0.788 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.162 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7842 Biowin2 (Non-Linear Model) : 0.9377 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1644 (weeks ) Biowin4 (Primary Survey Model) : 3.8993 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4132 Biowin6 (MITI Non-Linear Model): 0.3825 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3576 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): 816 Pa (6.12 mm Hg) Log Koa (Koawin est ): 3.162 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.68E-009 Octanol/air (Koa) model: 3.56E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.33E-007 Mackay model : 2.94E-007 Octanol/air (Koa) model: 2.85E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 4.2921 E-12 cm3/molecule-sec Half-Life = 2.492 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 29.905 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.13E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 328.7 Log Koc: 2.517 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 = 2.345 (BCF = 221.4) log Kow used: 3.95 (estimated) Volatilization from Water: Henry LC: 0.15 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.258 hours Half-Life from Model Lake : 116.7 hours (4.861 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 98.51 percent Total biodegradation: 0.06 percent Total sludge adsorption: 16.03 percent Total to Air: 82.42 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 24.5 59.8 1000 Water 41.7 360 1000 Soil 29 720 1000 Sediment 4.77 3.24e+003 0 Persistence Time: 147 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight