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: 81496-82-4
SMILES : O1C(O)C(C4CCC(C)C3C42OOC(OC12)(C)CC3)C
CHEM : dihydroartemisinin
MOL FOR: C15 H24 O5
MOL WT : 284.36
------------------------------ 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) = 1.86
Log Kow (Exper. database match) = 2.19
Exper. Ref: SANGSTER (1994)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 361.50 (Adapted Stein & Brown method)
Melting Pt (deg C): 133.38 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.99E-007 (Modified Grain method)
VP (Pa, 25 deg C) : 2.66E-005 (Modified Grain method)
Subcooled liquid VP: 2.44E-006 mm Hg (25 deg C, Mod-Grain method)
: 0.000325 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 659.9
log Kow used: 2.19 (expkow database)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 104.87 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Peroxy Acids
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 5.89E-012 atm-m3/mole (5.97E-007 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: 1.128E-010 atm-m3/mole (1.143E-005 Pa-m3/mole)
VP: 1.99E-007 mm Hg (source: MPBPVP)
WS: 660 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.19 (exp database)
Log Kaw used: -9.618 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 11.808
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -0.2917
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.2892 (weeks-months)
Biowin4 (Primary Survey Model) : 3.2406 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3203
Biowin6 (MITI Non-Linear Model): 0.0205
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.6962
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): 0.000325 Pa (2.44E-006 mm Hg)
Log Koa (Koawin est ): 11.808
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.00922
Octanol/air (Koa) model: 0.158
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.25
Mackay model : 0.425
Octanol/air (Koa) model: 0.927
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 81.9796 E-12 cm3/molecule-sec
Half-Life = 0.130 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.566 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.337 (Junge-Pankow, Mackay avg)
0.927 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 295.9 L/kg (MCI method)
Log Koc: 2.471 (MCI method)
Koc : 34.98 L/kg (Kow method)
Log Koc: 1.544 (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 = 1.112 (BCF = 12.94 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.2393 days (HL = 0.5763 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.199 (BCF = 15.8)
Log BAF Arnot-Gobas method (upper trophic) = 1.199 (BAF = 15.8)
log Kow used: 2.19 (expkow database)
Volatilization from Water:
Henry LC: 5.89E-012 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.676E+008 hours (6.984E+006 days)
Half-Life from Model Lake : 1.829E+009 hours (7.619E+007 days)
Removal In Wastewater Treatment:
Total removal: 2.46 percent
Total biodegradation: 0.10 percent
Total sludge adsorption: 2.37 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 6.34e-005 3.13 1000
Water 13.5 900 1000
Soil 86.3 1.8e+003 1000
Sediment 0.225 8.1e+003 0
Persistence Time: 1.75e+003 hr