This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
CAS Number: 127-06-0
SMILES : N(O)=C(C)C
CHEM : 2-Propanone, oxime
MOL FOR: C3 H7 N1 O1
MOL WT : 73.10
------------------------------ EPI SUMMARY (v4.00) --------------------------
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 v1.67 estimate) = 1.20
Log Kow (Exper. database match) = 0.12
Exper. Ref: POMONA (1987)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 134.91 (Adapted Stein & Brown method)
Melting Pt (deg C): -70.08 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.23 (Modified Grain method)
VP (Pa, 25 deg C) : 164 (Modified Grain method)
MP (exp database): 61 deg C
BP (exp database): 136 deg C
Subcooled liquid VP: 2.66 mm Hg (25 deg C, Mod-Grain method)
: 355 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 1.06e+005
log Kow used: 0.12 (expkow database)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 5809.2 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Aliphatic Amines
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 7.80E-006 atm-m3/mole (7.90E-001 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: 1.116E-006 atm-m3/mole (1.131E-001 Pa-m3/mole)
VP: 1.23 mm Hg (source: MPBPVP)
WS: 1.06E+005 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.12 (exp database)
Log Kaw used: -3.496 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 3.616
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7127
Biowin2 (Non-Linear Model) : 0.8777
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0376 (weeks )
Biowin4 (Primary Survey Model) : 3.7423 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4955
Biowin6 (MITI Non-Linear Model): 0.6117
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6769
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): 355 Pa (2.66 mm Hg)
Log Koa (Koawin est ): 3.616
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 8.46E-009
Octanol/air (Koa) model: 1.01E-009
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 3.06E-007
Mackay model : 6.77E-007
Octanol/air (Koa) model: 8.11E-008
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 0.3346 E-12 cm3/molecule-sec
Half-Life = 31.970 Days (12-hr day; 1.5E6 OH/cm3)
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
4.91E-007 (Junge-Pankow, Mackay avg)
8.11E-008 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 60.7 L/kg (MCI method)
Log Koc: 1.783 (MCI method)
Koc : 1.27 L/kg (Kow method)
Log Koc: 0.104 (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) = -1.1974 days (HL = 0.06347 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.003 (BCF = 0.9938)
Log BAF Arnot-Gobas method (upper trophic) = -0.003 (BAF = 0.9938)
log Kow used: 0.12 (expkow database)
Volatilization from Water:
Henry LC: 7.8E-006 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 65.05 hours (2.71 days)
Half-Life from Model Lake : 781.3 hours (32.55 days)
Removal In Wastewater Treatment:
Total removal: 2.28 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.75 percent
Total to Air: 0.44 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 6.62 767 1000
Water 28.4 360 1000
Soil 64.9 720 1000
Sediment 0.122 3.24e+003 0
Persistence Time: 460 hr