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CAS Number: 108-16-7

SMILES : OC(C)CN(C)C

CHEM : 2-Propanol, 1-(dimethylamino)-

MOL FOR: C5 H13 N1 O1

MOL WT : 103.17

------------------------------ EPI SUMMARY (v4.10) --------------------------

Physical Property Inputs:

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Vapor Pressure (mm Hg) : ------

Water Solubility (mg/L): ------

Henry LC (atm-m3/mole) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.68 estimate) = -0.52

Log Kow (Exper. database match) = 0.20

Exper. Ref: BIOBYTE STARLIST (2009)

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):

Boiling Pt (deg C): 137.99 (Adapted Stein & Brown method)

Melting Pt (deg C): -40.93 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 5.06 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 675 (Mean VP of Antoine & Grain methods)

MP (exp database): -85 deg C

BP (exp database): 126 deg C

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 7.865e+005

log Kow used: 0.20 (expkow database)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1e+006 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Aliphatic Amines

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 2.35E-009 atm-m3/mole (2.38E-004 Pa-m3/mole)

Group Method: 4.15E-009 atm-m3/mole (4.21E-004 Pa-m3/mole)

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 8.734E-007 atm-m3/mole (8.849E-002 Pa-m3/mole)

VP: 5.06 mm Hg (source: MPBPVP)

WS: 7.87E+005 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 0.20 (exp database)

Log Kaw used: -7.017 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.217

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6519

Biowin2 (Non-Linear Model) : 0.6079

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8764 (weeks )

Biowin4 (Primary Survey Model) : 3.5403 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4815

Biowin6 (MITI Non-Linear Model): 0.5250

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.4846

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): 617 Pa (4.63 mm Hg)

Log Koa (Koawin est ): 7.217

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 4.86E-009

Octanol/air (Koa) model: 4.05E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.76E-007

Mackay model : 3.89E-007

Octanol/air (Koa) model: 0.000324

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 87.8726 E-12 cm3/molecule-sec

Half-Life = 0.122 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.461 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

2.82E-007 (Junge-Pankow, Mackay avg)

0.000324 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.876 L/kg (MCI method)

Log Koc: 0.273 (MCI method)

Koc : 3.622 L/kg (Kow method)

Log Koc: 0.559 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Rate constants can NOT be estimated for this structure!

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -2.0164 days (HL = 0.00963 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.027 (BCF = 0.9396)

Log BAF Arnot-Gobas method (upper trophic) = -0.027 (BAF = 0.9396)

log Kow used: 0.20 (expkow database)

Volatilization from Water:

Henry LC: 4.15E-009 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.433E+005 hours (5971 days)

Half-Life from Model Lake : 1.563E+006 hours (6.514E+004 days)

Removal In Wastewater Treatment:

Total removal: 1.85 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.76 percent

Total to Air: 0.00 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0764 2.92 1000

Water 38.5 360 1000

Soil 61.4 720 1000

Sediment 0.0734 3.24e+003 0

Persistence Time: 525 hr

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