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CAS Number: 7719-12-2
SMILES : CLP(CL)CL
CHEM : Phosphorous trichloride
MOL FOR: CL3 P1
MOL WT : 137.33
------------------------------ EPI SUMMARY (v4.11) --------------------------
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):
*** WARNING: Inorganic Compound (Outside Estimation Domain)
Log Kow (KOWWIN v1.68 estimate) = 2.01
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
*** WARNING: Inorganic Compound (Outside Estimate Domain) ***
*** WARNING: Estimations NOT VALID ***
Boiling Pt (deg C): 509.80 (Adapted Stein & Brown method)
Melting Pt (deg C): 202.00 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 103 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 1.37E+004 (Mean VP of Antoine & Grain methods)
MP (exp database): -112 deg C
BP (exp database): 76 deg C
VP (exp database): 1.20E+02 mm Hg (1.60E+004 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
*** WARNING: Inorganic Compound (Outside Estimation Domain)**
Water Solubility at 25 deg C (mg/L): 1651
log Kow used: 2.01 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
*** WARNING: Inorganic Compound (Outside Estimation Domain)***
*** WARNING: Wat Sol Estimation NOT Valid ***
Wat Sol (v1.01 est) = 33527 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Inorganic Compound
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
*** WARNING: Inorganic Compound (Outside Estimation Domain) **
*** WARNING: Estimation NOT VALID **
Bond Method : 3.88E-004 atm-m3/mole (3.93E+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: 1.127E-002 atm-m3/mole (1.142E+003 Pa-m3/mole)
VP: 103 mm Hg (source: MPBPVP)
WS: 1.65E+003 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: 2.01 (KowWin est)
Log Kaw used: -1.800 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 3.810
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) : 0.6822
Biowin2 (Non-Linear Model) : 0.7424
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8957 (weeks )
Biowin4 (Primary Survey Model) : 3.6496 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3036
Biowin6 (MITI Non-Linear Model): 0.1917
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.8361
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): 1.6E+004 Pa (120 mm Hg)
Log Koa (Koawin est ): 3.810
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.88E-010
Octanol/air (Koa) model: 1.58E-009
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 6.77E-009
Mackay model : 1.5E-008
Octanol/air (Koa) model: 1.27E-007
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
*** WARNING: Inorganic Compound (Outside Estimation Domain)***
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 0.0000 E-12 cm3/molecule-sec
Half-Life = -------
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1.09E-008 (Junge-Pankow, Mackay avg)
1.27E-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 : 31.82 L/kg (MCI method)
Log Koc: 1.503 (MCI method)
Koc : 55.47 L/kg (Kow method)
Log Koc: 1.744 (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 = 0.993 (BCF = 9.839 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.2716 days (HL = 0.05351 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.814 (BCF = 6.516)
Log BAF Arnot-Gobas method (upper trophic) = 0.814 (BAF = 6.516)
log Kow used: 2.01 (estimated)
Volatilization from Water:
Henry LC: 0.000388 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.964 hours
Half-Life from Model Lake : 130.6 hours (5.442 days)
Removal In Wastewater Treatment:
Total removal: 16.85 percent
Total biodegradation: 0.08 percent
Total sludge adsorption: 1.91 percent
Total to Air: 14.86 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 23.5 1e+005 1000
Water 31 360 1000
Soil 45.4 720 1000
Sediment 0.0979 3.24e+003 0
Persistence Time: 271 hr