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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