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: 63968-64-9
SMILES : C1CC(C)(OO2)OC3OC(=O)C(C)C4C23C1C(C)CC4
CHEM : Artemisinin
MOL FOR: C15 H22 O5
MOL WT : 282.34
------------------------------ 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) = 2.85
Log Kow (Exper. database match) = 2.90
Exper. Ref: AVERY,MA ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 379.33 (Adapted Stein & Brown method)
Melting Pt (deg C): 132.75 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.18E-006 (Modified Grain method)
VP (Pa, 25 deg C) : 0.000291 (Modified Grain method)
Subcooled liquid VP: 2.63E-005 mm Hg (25 deg C, Mod-Grain method)
: 0.0035 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 51.85
log Kow used: 2.90 (expkow database)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 9.8081 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Peroxy Acids
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.92E-009 atm-m3/mole (4.99E-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: 1.562E-008 atm-m3/mole (1.583E-003 Pa-m3/mole)
VP: 2.18E-006 mm Hg (source: MPBPVP)
WS: 51.9 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.90 (exp database)
Log Kaw used: -6.696 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 9.596
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.0721
Biowin2 (Non-Linear Model) : 0.0219
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.2825 (weeks-months)
Biowin4 (Primary Survey Model) : 3.3527 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4950
Biowin6 (MITI Non-Linear Model): 0.1061
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.4393
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): 0.00351 Pa (2.63E-005 mm Hg)
Log Koa (Koawin est ): 9.596
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000856
Octanol/air (Koa) model: 0.000968
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.03
Mackay model : 0.0641
Octanol/air (Koa) model: 0.0719
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 43.2548 E-12 cm3/molecule-sec
Half-Life = 0.247 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.967 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.047 (Junge-Pankow, Mackay avg)
0.0719 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 2310 L/kg (MCI method)
Log Koc: 3.364 (MCI method)
Koc : 236 L/kg (Kow method)
Log Koc: 2.373 (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 = 1.580 (BCF = 38.06 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.7043 days (HL = 0.1976 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.610 (BCF = 40.7)
Log BAF Arnot-Gobas method (upper trophic) = 1.610 (BAF = 40.7)
log Kow used: 2.90 (expkow database)
Volatilization from Water:
Henry LC: 4.92E-009 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2E+005 hours (8332 days)
Half-Life from Model Lake : 2.182E+006 hours (9.09E+004 days)
Removal In Wastewater Treatment:
Total removal: 4.92 percent
Total biodegradation: 0.12 percent
Total sludge adsorption: 4.81 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 0.0321 5.94 1000
Water 12.1 900 1000
Soil 86.3 1.8e+003 1000
Sediment 1.59 8.1e+003 0
Persistence Time: 1.7e+003 hr