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CAS Number: 1071-28-9

SMILES : C(CN)COP(=O)(O)O

CHEM :

MOL FOR: C3 H10 N1 O4 P1

MOL WT : 155.09

------------------------------ 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) = -1.20

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

Boiling Pt (deg C): 333.81 (Adapted Stein & Brown method)

Melting Pt (deg C): 78.12 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.36E-006 (Modified Grain method)

VP (Pa, 25 deg C) : 0.000315 (Modified Grain method)

Subcooled liquid VP: 7.56E-006 mm Hg (25 deg C, Mod-Grain method)

: 0.00101 Pa (25 deg C, Mod-Grain method)

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

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

log Kow used: -1.20 (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 : 4.41E-016 atm-m3/mole (4.47E-011 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: 4.816E-013 atm-m3/mole (4.880E-008 Pa-m3/mole)

VP: 2.36E-006 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: -1.20 (KowWin est)

Log Kaw used: -13.744 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 12.544

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8275

Biowin2 (Non-Linear Model) : 0.8717

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8809 (weeks )

Biowin4 (Primary Survey Model) : 3.6673 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4323

Biowin6 (MITI Non-Linear Model): 0.2793

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 1.0913

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): 0.00101 Pa (7.56E-006 mm Hg)

Log Koa (Koawin est ): 12.544

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

Mackay model : 0.00298

Octanol/air (Koa) model: 0.859

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0971

Mackay model : 0.192

Octanol/air (Koa) model: 0.986

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 56.9279 E-12 cm3/molecule-sec

Half-Life = 0.188 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.255 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.145 (Junge-Pankow, Mackay avg)

0.986 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 10.23 L/kg (MCI method)

Log Koc: 1.010 (MCI method)

Koc : 2.202 L/kg (Kow method)

Log Koc: 0.343 (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) = -1.8251 days (HL = 0.01496 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.048 (BCF = 0.8955)

Log BAF Arnot-Gobas method (upper trophic) = -0.048 (BAF = 0.8955)

log Kow used: -1.20 (estimated)

Volatilization from Water:

Henry LC: 4.41E-016 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.653E+012 hours (6.889E+010 days)

Half-Life from Model Lake : 1.804E+013 hours (7.515E+011 days)

Removal In Wastewater Treatment:

Total removal: 1.85 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.75 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 1.04e-008 4.51 1000

Water 30.4 360 1000

Soil 69.5 720 1000

Sediment 0.0688 3.24e+003 0

Persistence Time: 641 hr

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