BT

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: 884905-11-7

SMILES : CCCCCCCC(=O)C(CCCCCC)C(=O)NCCO

CHEM :

MOL FOR: C18 H35 N1 O3

MOL WT : 313.48

------------------------------ 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) = 4.06

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

Boiling Pt (deg C): 466.57 (Adapted Stein & Brown method)

Melting Pt (deg C): 192.80 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 3.34E-011 (Modified Grain method)

VP (Pa, 25 deg C) : 4.46E-009 (Modified Grain method)

Subcooled liquid VP: 1.93E-009 mm Hg (25 deg C, Mod-Grain method)

: 2.58E-007 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 3.505

log Kow used: 4.06 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 139.35 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Amides

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

Bond Method : 2.40E-014 atm-m3/mole (2.44E-009 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: 3.931E-012 atm-m3/mole (3.983E-007 Pa-m3/mole)

VP: 3.34E-011 mm Hg (source: MPBPVP)

WS: 3.5 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.06 (KowWin est)

Log Kaw used: -12.008 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 16.068

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.1909

Biowin2 (Non-Linear Model) : 0.9963

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1864 (weeks )

Biowin4 (Primary Survey Model) : 4.2463 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7776

Biowin6 (MITI Non-Linear Model): 0.8483

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.6135

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): 2.57E-007 Pa (1.93E-009 mm Hg)

Log Koa (Koawin est ): 16.068

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

Mackay model : 11.7

Octanol/air (Koa) model: 2.87E+003

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.998

Mackay model : 0.999

Octanol/air (Koa) model: 1

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 36.6462 E-12 cm3/molecule-sec

Half-Life = 0.292 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.502 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.998 (Junge-Pankow, Mackay avg)

1 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 297.4 L/kg (MCI method)

Log Koc: 2.473 (MCI method)

Koc : 849.9 L/kg (Kow method)

Log Koc: 2.929 (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 = 0.970 (BCF = 9.333 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.2490 days (HL = 0.05637 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.385 (BCF = 24.28)

Log BAF Arnot-Gobas method (upper trophic) = 1.385 (BAF = 24.28)

log Kow used: 4.06 (estimated)

Volatilization from Water:

Henry LC: 2.4E-014 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 4.319E+010 hours (1.8E+009 days)

Half-Life from Model Lake : 4.712E+011 hours (1.963E+010 days)

Removal In Wastewater Treatment:

Total removal: 32.88 percent

Total biodegradation: 0.34 percent

Total sludge adsorption: 32.54 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 0.000251 7.01 1000

Water 17.2 360 1000

Soil 82.6 720 1000

Sediment 0.223 3.24e+003 0

Persistence Time: 770 hr

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