The Good Scents Company Information Listings

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: 626-90-4



MOL FOR: C5 H11 N1 O1

MOL WT : 101.15

------------------------------ 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):

Log Kow (KOWWIN v1.68 estimate) = 1.19

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

Boiling Pt (deg C): 171.52 (Adapted Stein & Brown method)

Melting Pt (deg C): -48.64 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.388 (Modified Grain method)

VP (Pa, 25 deg C) : 51.7 (Modified Grain method)

MP (exp database): 48.5 deg C

BP (exp database): 161.3 deg C

Subcooled liquid VP: 0.636 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 1.109e+004

log Kow used: 1.19 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2305.5 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Aliphatic Amines

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

Bond Method : 1.37E-005 atm-m3/mole (1.39E+000 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: 4.656E-006 atm-m3/mole (4.718E-001 Pa-m3/mole)

VP: 0.388 mm Hg (source: MPBPVP)

WS: 1.11E+004 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.19 (KowWin est)

Log Kaw used: -3.252 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.442

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6994

Biowin2 (Non-Linear Model) : 0.8281

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9756 (weeks )

Biowin4 (Primary Survey Model) : 3.7018 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3601

Biowin6 (MITI Non-Linear Model): 0.4686

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3712

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): 84.8 Pa (0.636 mm Hg)

Log Koa (Koawin est ): 4.442

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

Mackay model : 3.54E-008

Octanol/air (Koa) model: 6.79E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.28E-006

Mackay model : 2.83E-006

Octanol/air (Koa) model: 5.43E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 6.5200 E-12 cm3/molecule-sec

Half-Life = 1.640 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 19.686 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

2.05E-006 (Junge-Pankow, Mackay avg)

5.43E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 201.6 L/kg (MCI method)

Log Koc: 2.304 (MCI method)

Koc : 10.77 L/kg (Kow method)

Log Koc: 1.032 (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 = 0.455 (BCF = 2.849 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.2976 days (HL = 0.0504 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.291 (BCF = 1.955)

Log BAF Arnot-Gobas method (upper trophic) = 0.291 (BAF = 1.955)

log Kow used: 1.19 (estimated)

Volatilization from Water:

Henry LC: 1.37E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 44.01 hours (1.834 days)

Half-Life from Model Lake : 564.4 hours (23.52 days)

Removal In Wastewater Treatment:

Total removal: 2.66 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.80 percent

Total to Air: 0.76 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 2.76 39.4 1000

Water 25.5 360 1000

Soil 71.5 720 1000

Sediment 0.245 3.24e+003 0

Persistence Time: 455 hr

Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) Disclaimer Privacy Policy