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CAS Num: 007005-47-2

SMILES : OCC(N(C)C)(C)C

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

MOL FOR: C6 H15 N1 O1

MOL WT : 117.19

------------------------------ EPI SUMMARY (v4.00) --------------------------

Physical Property Inputs:

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

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

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

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

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

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

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = -0.06

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

Boiling Pt (deg C): 158.50 (Adapted Stein & Brown method)

Melting Pt (deg C): -20.59 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.768 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 102 (Mean VP of Antoine & Grain methods)

MP (exp database): 19 deg C

BP (exp database): 160 deg C

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 1e+006

log Kow used: -0.06 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 1e+006 mg/L (20 deg C)

Exper. Ref: KIRK-OTHMER; 4th ed, 2:27-28 (1992)

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 : 3.12E-009 atm-m3/mole (3.17E-004 Pa-m3/mole)

Group Method: Incomplete

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

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

HLC: 1.184E-007 atm-m3/mole (1.200E-002 Pa-m3/mole)

VP: 0.768 mm Hg (source: MPBPVP)

WS: 1E+006 mg/L (source: WSKOWWIN)

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

Log Kow used: -0.06 (KowWin est)

Log Kaw used: -6.894 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.834

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4613

Biowin2 (Non-Linear Model) : 0.1849

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6332 (weeks-months)

Biowin4 (Primary Survey Model) : 3.3667 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5585

Biowin6 (MITI Non-Linear Model): 0.5531

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.7325

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): 91.5 Pa (0.686 mm Hg)

Log Koa (Koawin est ): 6.834

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

Mackay model : 3.28E-008

Octanol/air (Koa) model: 1.67E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.18E-006

Mackay model : 2.62E-006

Octanol/air (Koa) model: 0.000134

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 73.0250 E-12 cm3/molecule-sec

Half-Life = 0.146 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.758 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.9E-006 (Junge-Pankow, Mackay avg)

0.000134 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2.954 L/kg (MCI method)

Log Koc: 0.470 (MCI method)

Koc : 2.601 L/kg (Kow method)

Log Koc: 0.415 (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 v3.00):

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

Log Biotransformation Half-life (HL) = -1.9956 days (HL = 0.0101 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.036 (BCF = 0.9194)

Log BAF Arnot-Gobas method (upper trophic) = -0.036 (BAF = 0.9194)

log Kow used: -0.06 (estimated)

Volatilization from Water:

Henry LC: 3.12E-009 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.031E+005 hours (8464 days)

Half-Life from Model Lake : 2.216E+006 hours (9.234E+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 0.0358 3.52 1000

Water 43.1 900 1000

Soil 56.8 1.8e+003 1000

Sediment 0.0886 8.1e+003 0

Persistence Time: 947 hr

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