- Non-standard isotope
(~147~Gd)Gadolinium
[147Gd]
InChI=1S/Gd/i1-10
UIWYJDYFSGRHKR-CBESVEIWSA-N
CSID:154556, http://www.chemspider.com/Chemical-Structure.154556.html (accessed 13:03, Apr 16, 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
No predicted properties have been calculated for this compound.
Predicted data is generated using the US Environmental Protection Agency�s EPISuite™
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 0.23 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 482.98 (Adapted Stein & Brown method) Melting Pt (deg C): 188.60 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.24E-009 (Modified Grain method) Subcooled liquid VP: 2.19E-007 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 4.49e+004 log Kow used: 0.23 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.7913e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.45E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.954E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.23 (KowWin est) Log Kaw used: 0.001 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 0.229 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6727 Biowin2 (Non-Linear Model) : 0.6848 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8517 (weeks ) Biowin4 (Primary Survey Model) : 3.6209 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2443 Biowin6 (MITI Non-Linear Model): 0.1177 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8361 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): 2.92E-005 Pa (2.19E-007 mm Hg) Log Koa (Koawin est ): 0.229 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.103 Octanol/air (Koa) model: 4.16E-013 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.788 Mackay model : 0.892 Octanol/air (Koa) model: 3.33E-011 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0000 E-12 cm3/molecule-sec Half-Life = ------- Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.84 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 14.3 Log Koc: 1.155 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 = 0.500 (BCF = 3.162) log Kow used: 0.23 (estimated) Volatilization from Water: Henry LC: 0.0245 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.31 hours Half-Life from Model Lake : 119.4 hours (4.976 days) Removal In Wastewater Treatment: Total removal: 90.51 percent Total biodegradation: 0.02 percent Total sludge adsorption: 0.40 percent Total to Air: 90.09 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 40.2 1e+005 1000 Water 54.1 360 1000 Soil 5.63 720 1000 Sediment 0.101 3.24e+003 0 Persistence Time: 177 hr Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 0.23 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 482.98 (Adapted Stein & Brown method) Melting Pt (deg C): 188.60 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.24E-009 (Modified Grain method) Subcooled liquid VP: 2.19E-007 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 4.49e+004 log Kow used: 0.23 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.7913e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.45E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.954E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.23 (KowWin est) Log Kaw used: 0.001 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 0.229 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6727 Biowin2 (Non-Linear Model) : 0.6848 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8517 (weeks ) Biowin4 (Primary Survey Model) : 3.6209 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2443 Biowin6 (MITI Non-Linear Model): 0.1177 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8361 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): 2.92E-005 Pa (2.19E-007 mm Hg) Log Koa (Koawin est ): 0.229 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.103 Octanol/air (Koa) model: 4.16E-013 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.788 Mackay model : 0.892 Octanol/air (Koa) model: 3.33E-011 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0000 E-12 cm3/molecule-sec Half-Life = ------- Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.84 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 14.3 Log Koc: 1.155 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 = 0.500 (BCF = 3.162) log Kow used: 0.23 (estimated) Volatilization from Water: Henry LC: 0.0245 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.31 hours Half-Life from Model Lake : 119.4 hours (4.976 days) Removal In Wastewater Treatment: Total removal: 90.51 percent Total biodegradation: 0.02 percent Total sludge adsorption: 0.40 percent Total to Air: 90.09 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 40.2 1e+005 1000 Water 54.1 360 1000 Soil 5.63 720 1000 Sediment 0.101 3.24e+003 0 Persistence Time: 177 hr Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 0.23 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 482.98 (Adapted Stein & Brown method) Melting Pt (deg C): 188.60 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.24E-009 (Modified Grain method) Subcooled liquid VP: 2.19E-007 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 4.49e+004 log Kow used: 0.23 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.7913e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.45E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.954E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.23 (KowWin est) Log Kaw used: 0.001 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 0.229 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6727 Biowin2 (Non-Linear Model) : 0.6848 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8517 (weeks ) Biowin4 (Primary Survey Model) : 3.6209 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2443 Biowin6 (MITI Non-Linear Model): 0.1177 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8361 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): 2.92E-005 Pa (2.19E-007 mm Hg) Log Koa (Koawin est ): 0.229 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.103 Octanol/air (Koa) model: 4.16E-013 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.788 Mackay model : 0.892 Octanol/air (Koa) model: 3.33E-011 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0000 E-12 cm3/molecule-sec Half-Life = ------- Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.84 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 14.3 Log Koc: 1.155 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 = 0.500 (BCF = 3.162) log Kow used: 0.23 (estimated) Volatilization from Water: Henry LC: 0.0245 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.31 hours Half-Life from Model Lake : 119.4 hours (4.976 days) Removal In Wastewater Treatment: Total removal: 90.51 percent Total biodegradation: 0.02 percent Total sludge adsorption: 0.40 percent Total to Air: 90.09 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 40.2 1e+005 1000 Water 54.1 360 1000 Soil 5.63 720 1000 Sediment 0.101 3.24e+003 0 Persistence Time: 177 hr Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 0.23 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 482.98 (Adapted Stein & Brown method) Melting Pt (deg C): 188.60 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.24E-009 (Modified Grain method) Subcooled liquid VP: 2.19E-007 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 4.49e+004 log Kow used: 0.23 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.7913e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.45E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.954E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.23 (KowWin est) Log Kaw used: 0.001 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 0.229 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6727 Biowin2 (Non-Linear Model) : 0.6848 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8517 (weeks ) Biowin4 (Primary Survey Model) : 3.6209 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2443 Biowin6 (MITI Non-Linear Model): 0.1177 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8361 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): 2.92E-005 Pa (2.19E-007 mm Hg) Log Koa (Koawin est ): 0.229 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.103 Octanol/air (Koa) model: 4.16E-013 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.788 Mackay model : 0.892 Octanol/air (Koa) model: 3.33E-011 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0000 E-12 cm3/molecule-sec Half-Life = ------- Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.84 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 14.3 Log Koc: 1.155 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 = 0.500 (BCF = 3.162) log Kow used: 0.23 (estimated) Volatilization from Water: Henry LC: 0.0245 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.31 hours Half-Life from Model Lake : 119.4 hours (4.976 days) Removal In Wastewater Treatment: Total removal: 90.51 percent Total biodegradation: 0.02 percent Total sludge adsorption: 0.40 percent Total to Air: 90.09 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 40.2 1e+005 1000 Water 54.1 360 1000 Soil 5.63 720 1000 Sediment 0.101 3.24e+003 0 Persistence Time: 177 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight