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CAS Num: 000110-91-8
SMILES : O(CCNC1)C1
CHEM : Morpholine
MOL FOR: C4 H9 N1 O1
MOL WT : 87.12
------------------------------ 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) = -0.56
Log Kow (Exper. database match) = -0.86
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 134.07 (Adapted Stein & Brown method)
Melting Pt (deg C): -15.24 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 10.9 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 1.46E+003 (Mean VP of Antoine & Grain methods)
MP (exp database): -4.9 deg C
BP (exp database): 128 deg C
VP (exp database): 1.01E+01 mm Hg (1.35E+003 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 1e+006
log Kow used: -0.86 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 1e+006 mg/L ( deg C)
Exper. Ref: RIDDICK,JA ET AL. (1986)
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 : 1.14E-007 atm-m3/mole (1.15E-002 Pa-m3/mole)
Group Method: 3.22E-009 atm-m3/mole (3.27E-004 Pa-m3/mole)
Exper Database: 1.16E-06 atm-m3/mole (1.18E-001 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: 1.249E-006 atm-m3/mole (1.266E-001 Pa-m3/mole)
VP: 10.9 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: -0.86 (exp database)
Log Kaw used: -4.324 (exp database)
Log Koa (KOAWIN v1.10 estimate): 3.464
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.5125
Biowin2 (Non-Linear Model) : 0.3663
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0224 (weeks )
Biowin4 (Primary Survey Model) : 3.7556 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5666
Biowin6 (MITI Non-Linear Model): 0.6376
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.2761
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): 1.35E+003 Pa (10.1 mm Hg)
Log Koa (Koawin est ): 3.464
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.23E-009
Octanol/air (Koa) model: 7.14E-010
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 8.05E-008
Mackay model : 1.78E-007
Octanol/air (Koa) model: 5.72E-008
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 137.8190 E-12 cm3/molecule-sec
Half-Life = 0.078 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.931 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1.29E-007 (Junge-Pankow, Mackay avg)
5.72E-008 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 7.356 L/kg (MCI method)
Log Koc: 0.867 (MCI method)
Koc : 2.066 L/kg (Kow method)
Log Koc: 0.315 (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) = -1.2563 days (HL = 0.05543 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.044 (BCF = 0.9032)
Log BAF Arnot-Gobas method (upper trophic) = -0.044 (BAF = 0.9032)
log Kow used: -0.86 (expkow database)
Volatilization from Water:
Henry LC: 1.16E-006 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 472.1 hours (19.67 days)
Half-Life from Model Lake : 5228 hours (217.8 days)
Removal In Wastewater Treatment:
Total removal: 1.91 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.75 percent
Total to Air: 0.07 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.257 1.86 1000
Water 41.7 360 1000
Soil 57.9 720 1000
Sediment 0.0893 3.24e+003 0
Persistence Time: 362 hr