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: 002696-92-6
SMILES : CLN=O
CHEM : NITROSYL CHLORIDE
MOL FOR: CL1 N1 O1
MOL WT : 65.46
------------------------------ 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) = 0.10
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
*** WARNING: Inorganic Compound (Outside Estimate Domain) ***
*** WARNING: Estimations NOT VALID ***
Boiling Pt (deg C): 470.99 (Adapted Stein & Brown method)
Melting Pt (deg C): 180.66 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.47E-007 (Modified Grain method)
VP (Pa, 25 deg C) : 1.96E-005 (Modified Grain method)
MP (exp database): -61.5 deg C
VP (exp database): 2.41E+03 mm Hg (3.21E+005 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): 1.124e+005
log Kow used: 0.10 (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) = 40296 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Aliphatic Amines
Haloamine (oxidizing agent)
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
*** WARNING: Inorganic Compound (Outside Estimation Domain) **
*** WARNING: Estimation NOT VALID **
Bond Method : 1.96E-003 atm-m3/mole (1.99E+002 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: 1.126E-013 atm-m3/mole (1.141E-008 Pa-m3/mole)
VP: 1.47E-007 mm Hg (source: MPBPVP)
WS: 1.12E+005 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: 0.10 (KowWin est)
Log Kaw used: -1.096 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 1.196
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) : 0.7164
Biowin2 (Non-Linear Model) : 0.8889
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0545 (weeks )
Biowin4 (Primary Survey Model) : 3.7533 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5174
Biowin6 (MITI Non-Linear Model): 0.6538
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): 3.21E+005 Pa (2.41E+003 mm Hg)
Log Koa (Koawin est ): 1.196
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 9.34E-012
Octanol/air (Koa) model: 3.85E-012
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 3.37E-010
Mackay model : 7.47E-010
Octanol/air (Koa) model: 3.08E-010
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):
5.42E-010 (Junge-Pankow, Mackay avg)
3.08E-010 (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 : 21.73 L/kg (MCI method)
Log Koc: 1.337 (MCI method)
Koc : 1.22 L/kg (Kow method)
Log Koc: 0.086 (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) = -1.6744 days (HL = 0.02116 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.020 (BCF = 0.9542)
Log BAF Arnot-Gobas method (upper trophic) = -0.020 (BAF = 0.9542)
log Kow used: 0.10 (estimated)
Volatilization from Water:
Henry LC: 0.00196 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.067 hours
Half-Life from Model Lake : 79.48 hours (3.312 days)
Removal In Wastewater Treatment:
Total removal: 45.03 percent
Total biodegradation: 0.06 percent
Total sludge adsorption: 1.09 percent
Total to Air: 43.88 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 35.2 1e+005 1000
Water 36.5 360 1000
Soil 28.1 720 1000
Sediment 0.1 3.24e+003 0
Persistence Time: 206 hr