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CAS Number: 110-73-6
SMILES : OCCNCC
CHEM : Ethanol, 2-(ethylamino)-
MOL FOR: C4 H11 N1 O1
MOL WT : 89.14
------------------------------ 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) = -0.66
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 156.26 (Adapted Stein & Brown method)
Melting Pt (deg C): -23.63 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.446 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 59.4 (Mean VP of Antoine & Grain methods)
BP (exp database): 169.5 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1e+006
log Kow used: -0.66 (estimated)
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 : 1.07E-009 atm-m3/mole (1.09E-004 Pa-m3/mole)
Group Method: 3.01E-010 atm-m3/mole (3.05E-005 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: 5.231E-008 atm-m3/mole (5.300E-003 Pa-m3/mole)
VP: 0.446 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: -0.66 (KowWin est)
Log Kaw used: -7.359 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.699
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.0177
Biowin2 (Non-Linear Model) : 0.9815
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.1866 (weeks )
Biowin4 (Primary Survey Model) : 3.8919 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7900
Biowin6 (MITI Non-Linear Model): 0.8787
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 1.1445
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 52.9 Pa (0.397 mm Hg)
Log Koa (Koawin est ): 6.699
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 5.67E-008
Octanol/air (Koa) model: 1.23E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 2.05E-006
Mackay model : 4.53E-006
Octanol/air (Koa) model: 9.82E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 86.6984 E-12 cm3/molecule-sec
Half-Life = 0.123 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.480 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
3.29E-006 (Junge-Pankow, Mackay avg)
9.82E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 2.375 L/kg (MCI method)
Log Koc: 0.376 (MCI method)
Koc : 1.274 L/kg (Kow method)
Log Koc: 0.105 (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) = -1.3042 days (HL = 0.04964 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.042 (BCF = 0.9087)
Log BAF Arnot-Gobas method (upper trophic) = -0.042 (BAF = 0.9087)
log Kow used: -0.66 (estimated)
Volatilization from Water:
Henry LC: 3.01E-010 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 1.836E+006 hours (7.652E+004 days)
Half-Life from Model Lake : 2.003E+007 hours (8.348E+005 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 0.00675 2.96 1000
Water 36.4 360 1000
Soil 63.6 720 1000
Sediment 0.0702 3.24e+003 0
Persistence Time: 591 hr