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 Num: 007722-84-1
SMILES : OO
CHEM : Hydrogen peroxide
MOL FOR: H2 O2
MOL WT : 34.01
------------------------------ 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):
*** WARNING: Inorganic Compound (Outside Estimation Domain)
Log Kow (KOWWIN v1.67 estimate) = -1.57
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
*** WARNING: Inorganic Compound (Outside Estimate Domain) ***
*** WARNING: Estimations NOT VALID ***
Boiling Pt (deg C): 509.73 (Adapted Stein & Brown method)
Melting Pt (deg C): 205.04 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 3.65 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 487 (Mean VP of Antoine & Grain methods)
MP (exp database): -0.43 deg C
BP (exp database): 152 deg C
VP (exp database): 1.97E+00 mm Hg (2.63E+002 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
*** WARNING: Inorganic Compound (Outside Estimation Domain)**
Water Solubility at 25 deg C (mg/L): 1e+006
log Kow used: -1.57 (estimated)
no-melting pt equation used
Water Sol (Exper. database match) = 1e+006 mg/L (25 deg C)
Exper. Ref: RADDING,SB ET AL. (1977)
Water Sol Estimate from Fragments:
*** WARNING: Inorganic Compound (Outside Estimation Domain)***
*** WARNING: Wat Sol Estimation NOT Valid ***
Wat Sol (v1.01 est) = 60379 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Peroxy Acids
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
*** WARNING: Inorganic Compound (Outside Estimation Domain) **
*** WARNING: Estimation NOT VALID **
Bond Method : 2.13E-008 atm-m3/mole (2.16E-003 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: 1.633E-007 atm-m3/mole (1.655E-002 Pa-m3/mole)
VP: 3.65 mm Hg (source: MPBPVP)
WS: 1E+006 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
*** WARNING: Inorganic Compound (Outside Estimation Domain)**
*** WARNING: Estimation NOT VALID ***
Log Kow used: -1.57 (KowWin est)
Log Kaw used: -6.060 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 4.490
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
*** WARNING: Inorganic Compound (Outside Estimation Domain)**
*** WARNING: Estimation NOT VALID ***
Biowin1 (Linear Model) : 0.7314
Biowin2 (Non-Linear Model) : 0.9259
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.1240 (weeks )
Biowin4 (Primary Survey Model) : 3.7987 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6109
Biowin6 (MITI Non-Linear Model): 0.8240
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.8361
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): 263 Pa (1.97 mm Hg)
Log Koa (Koawin est ): 4.490
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.14E-008
Octanol/air (Koa) model: 7.59E-009
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 4.13E-007
Mackay model : 9.14E-007
Octanol/air (Koa) model: 6.07E-007
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
*** WARNING: Inorganic Compound (Outside Estimation Domain)***
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 8.0000 E-12 cm3/molecule-sec
Half-Life = 1.337 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 16.044 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
6.63E-007 (Junge-Pankow, Mackay avg)
6.07E-007 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
*** WARNING: Inorganic Coumpound (Outside Estimation Domain) **
*** WARNING: Estimation NOT VALID **
Koc : 13.22 L/kg (MCI method)
Log Koc: 1.121 (MCI method)
Koc : 0.04335 L/kg (Kow method)
Log Koc: -1.363 (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) = -2.1071 days (HL = 0.007814 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.8937)
Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.8937)
log Kow used: -1.57 (estimated)
Volatilization from Water:
Henry LC: 2.13E-008 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.603E+004 hours (667.9 days)
Half-Life from Model Lake : 1.749E+005 hours (7289 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 0.383 32.1 1000
Water 30.2 360 1000
Soil 69.3 720 1000
Sediment 0.0721 3.24e+003 0
Persistence Time: 598 hr