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: 61925-50-6
SMILES : CCCCCCC(CC)O
CHEM : (3R)-nonan-3-ol
MOL FOR: C9 H20 O1
MOL WT : 144.26
------------------------------ EPI SUMMARY (v4.00) --------------------------
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 v1.67 estimate) = 3.22
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 202.13 (Adapted Stein & Brown method)
Melting Pt (deg C): -15.89 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0648 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 8.65 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 459.7
log Kow used: 3.22 (estimated)
no-melting pt equation used
Water Sol (Exper. database match) = 315 mg/L (25 deg C)
Exper. Ref: SUZUKI,T (1991)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 413.45 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.12E-005 atm-m3/mole (4.17E+000 Pa-m3/mole)
Group Method: 9.09E-005 atm-m3/mole (9.21E+000 Pa-m3/mole)
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 2.676E-005 atm-m3/mole (2.711E+000 Pa-m3/mole)
VP: 0.0648 mm Hg (source: MPBPVP)
WS: 460 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.22 (KowWin est)
Log Kaw used: -2.774 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.994
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9460
Biowin2 (Non-Linear Model) : 0.9806
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.3387 (days-weeks )
Biowin4 (Primary Survey Model) : 4.0381 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6908
Biowin6 (MITI Non-Linear Model): 0.8678
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.4821
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): 7.77 Pa (0.0583 mm Hg)
Log Koa (Koawin est ): 5.994
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.86E-007
Octanol/air (Koa) model: 2.42E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.39E-005
Mackay model : 3.09E-005
Octanol/air (Koa) model: 1.94E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 18.6970 E-12 cm3/molecule-sec
Half-Life = 0.572 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 6.865 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
2.24E-005 (Junge-Pankow, Mackay avg)
1.94E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 61.42 L/kg (MCI method)
Log Koc: 1.788 (MCI method)
Koc : 197.1 L/kg (Kow method)
Log Koc: 2.295 (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 = 1.794 (BCF = 62.16 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.4998 days (HL = 0.3164 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.876 (BCF = 75.21)
Log BAF Arnot-Gobas method (upper trophic) = 1.876 (BAF = 75.21)
log Kow used: 3.22 (estimated)
Volatilization from Water:
Henry LC: 4.12E-005 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 18.29 hours
Half-Life from Model Lake : 300.3 hours (12.51 days)
Removal In Wastewater Treatment:
Total removal: 10.00 percent
Total biodegradation: 0.14 percent
Total sludge adsorption: 7.83 percent
Total to Air: 2.04 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 2.44 13.7 1000
Water 30 208 1000
Soil 67.5 416 1000
Sediment 0.116 1.87e+003 0
Persistence Time: 256 hr