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: 51-78-5
SMILES : c(cc(c1)N(CL)(H)(H)(H))c(c1)O
CHEM : 4-Aminophenol hydrochloride
MOL FOR: C6 H8 CL1 N1 O1
MOL WT : 145.59
------------------------------ 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) = -3.09
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 401.63 (Adapted Stein & Brown method)
Melting Pt (deg C): 166.65 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.17E-009 (Modified Grain method)
VP (Pa, 25 deg C) : 1.56E-007 (Modified Grain method)
MP (exp database): 305 dec deg C
Subcooled liquid VP: 1.59E-006 mm Hg (25 deg C, Mod-Grain method)
: 0.000212 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: -3.09 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 44339 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Phenols
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.84E-017 atm-m3/mole (1.86E-012 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: 2.241E-016 atm-m3/mole (2.271E-011 Pa-m3/mole)
VP: 1.17E-009 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: -3.09 (KowWin est)
Log Kaw used: -15.124 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 12.034
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7940
Biowin2 (Non-Linear Model) : 0.8641
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9338 (weeks )
Biowin4 (Primary Survey Model) : 3.6774 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3668
Biowin6 (MITI Non-Linear Model): 0.3886
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.0974
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): 0.000212 Pa (1.59E-006 mm Hg)
Log Koa (Koawin est ): 12.034
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.0142
Octanol/air (Koa) model: 0.265
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.338
Mackay model : 0.531
Octanol/air (Koa) model: 0.955
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 7.2652 E-12 cm3/molecule-sec
Half-Life = 1.472 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 17.667 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
0.435 (Junge-Pankow, Mackay avg)
0.955 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 172.1 L/kg (MCI method)
Log Koc: 2.236 (MCI method)
Koc : 0.2297 L/kg (Kow method)
Log Koc: -0.639 (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) = -2.6942 days (HL = 0.002022 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.893)
Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.893)
log Kow used: -3.09 (estimated)
Volatilization from Water:
Henry LC: 1.84E-017 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 3.839E+013 hours (1.6E+012 days)
Half-Life from Model Lake : 4.188E+014 hours (1.745E+013 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 35.3 1000
Water 18.1 360 1000
Soil 81.8 720 1000
Sediment 0.154 3.24e+003 0
Persistence Time: 760 hr