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CAS Number: 3077-12-1

SMILES : OCCN(c(ccc(c1)C)c1)CCO

CHEM : Ethanol, 2,2 -[(4-methylphenyl)imino]bis-

MOL FOR: C11 H17 N1 O2

MOL WT : 195.26

------------------------------ 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) = 1.18

Log Kow (Exper. database match) = 1.09

Exper. Ref: SANGSTER (1993)

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):

Boiling Pt (deg C): 342.62 (Adapted Stein & Brown method)

Melting Pt (deg C): 102.13 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 9.39E-007 (Modified Grain method)

VP (Pa, 25 deg C) : 0.000125 (Modified Grain method)

BP (exp database): 339 deg C

Subcooled liquid VP: 5.31E-006 mm Hg (25 deg C, Mod-Grain method)

: 0.000708 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 5423

log Kow used: 1.09 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 2.4e+004 mg/L (37 deg C)

Exper. Ref: EPA

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1.332e+005 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 2.23E-010 atm-m3/mole (2.26E-005 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: 4.449E-011 atm-m3/mole (4.508E-006 Pa-m3/mole)

VP: 9.39E-007 mm Hg (source: MPBPVP)

WS: 5.42E+003 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 1.09 (exp database)

Log Kaw used: -8.040 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 9.130

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8215

Biowin2 (Non-Linear Model) : 0.6955

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7580 (weeks )

Biowin4 (Primary Survey Model) : 3.4684 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6407

Biowin6 (MITI Non-Linear Model): 0.6372

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.6228

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): 0.000708 Pa (5.31E-006 mm Hg)

Log Koa (Koawin est ): 9.130

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 0.00424

Octanol/air (Koa) model: 0.000331

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.133

Mackay model : 0.253

Octanol/air (Koa) model: 0.0258

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 209.4810 E-12 cm3/molecule-sec

Half-Life = 0.051 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.613 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.193 (Junge-Pankow, Mackay avg)

0.0258 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 10 L/kg (MCI method)

Log Koc: 1.000 (MCI method)

Koc : 4.365 L/kg (Kow method)

Log Koc: 0.640 (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 = 0.131 (BCF = 1.351 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.7834 days (HL = 0.01647 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.140 (BCF = 1.38)

Log BAF Arnot-Gobas method (upper trophic) = 0.140 (BAF = 1.38)

log Kow used: 1.09 (expkow database)

Volatilization from Water:

Henry LC: 2.23E-010 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 3.669E+006 hours (1.529E+005 days)

Half-Life from Model Lake : 4.002E+007 hours (1.668E+006 days)

Removal In Wastewater Treatment:

Total removal: 1.90 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.80 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 0.00534 1.23 1000

Water 30.9 360 1000

Soil 69.1 720 1000

Sediment 0.0695 3.24e+003 0

Persistence Time: 626 hr

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